PubChemLite - 71002-32-9 (C34H45O3P)

Structural Information

Molecular Formula

SMILES

C1C2CC(C1C=C2)COP(OCC3CC4CC3C5C4C6CC5C=C6)OCC7CC8CC7C9C8C1CC9C=C1

InChI

InChI=1S/C34H45O3P/c1-2-19-7-18(1)8-26(19)15-35-38(36-16-27-11-24-13-29(27)33-22-5-3-20(9-22)31(24)33)37-17-28-12-25-14-30(28)34-23-6-4-21(10-23)32(25)34/h1-6,18-34H,7-17H2

InChIKey

UFQSSUYAFFNWOS-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enylmethyl bis(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl) phosphite

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]+	533.31788	207.5
[M+Na]+	555.29982	205.6
[M-H]-	531.30332	218.1
[M+NH4]+	550.34442	233.1
[M+K]+	571.27376	204.7
[M+H-H2O]+	515.30786	212.2
[M+HCOO]-	577.30880	220.0
[M+CH3COO]-	591.32445	213.2
[M+Na-2H]-	553.28527	186.2
[M]+	532.31005	211.4
[M]-	532.31115	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.31788

207.5

[M+Na]+

555.29982

205.6

[M-H]-

531.30332

218.1

[M+NH4]+

550.34442

233.1

[M+K]+

571.27376

204.7

[M+H-H2O]+

515.30786

212.2

[M+HCOO]-

577.30880

220.0

[M+CH3COO]-

591.32445

213.2

[M+Na-2H]-

553.28527

186.2

[M]+

532.31005

211.4

[M]-

532.31115

211.4

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

71002-32-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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