PubChemLite - Dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine, n,n-dibutyl-2,4,8,10-tetrakis(1,1-dimethylethyl)- (C36H58NO2P)

Structural Information

Molecular Formula

SMILES

CCCCN(CCCC)P1OC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C3=C(O1)C(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C36H58NO2P/c1-15-17-19-37(20-18-16-2)40-38-31-27(21-25(33(3,4)5)23-29(31)35(9,10)11)28-22-26(34(6,7)8)24-30(32(28)39-40)36(12,13)14/h21-24H,15-20H2,1-14H3

InChIKey

DNHKMKNEVOOJMY-UHFFFAOYSA-N

Compound name

N,N-dibutyl-2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	568.42781	255.7
[M+Na]+	590.40975	259.6
[M-H]-	566.41325	263.0
[M+NH4]+	585.45435	261.9
[M+K]+	606.38369	263.3
[M+H-H2O]+	550.41779	247.0
[M+HCOO]-	612.41873	270.0
[M+CH3COO]-	626.43438	268.1
[M+Na-2H]-	588.39520	254.7
[M]+	567.41998	264.9
[M]-	567.42108	264.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.42781

255.7

[M+Na]+

590.40975

259.6

[M-H]-

566.41325

263.0

[M+NH4]+

585.45435

261.9

[M+K]+

606.38369

263.3

[M+H-H2O]+

550.41779

247.0

[M+HCOO]-

612.41873

270.0

[M+CH3COO]-

626.43438

268.1

[M+Na-2H]-

588.39520

254.7

[M]+

567.41998

264.9

[M]-

567.42108

264.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine, n,n-dibutyl-2,4,8,10-tetrakis(1,1-dimethylethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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