PubChemLite - 134051-90-4 (C18H20F17N2O4P)

Structural Information

Molecular Formula

SMILES

C1COCCN1P(=O)(N2CCOCC2)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H20F17N2O4P/c19-11(20,1-6-41-42(38,36-2-7-39-8-3-36)37-4-9-40-10-5-37)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1-10H2

InChIKey

HAEOSTPXSODLJY-UHFFFAOYSA-N

Compound name

4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy(morpholin-4-yl)phosphoryl]morpholine

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]+	683.09618	193.7
[M+Na]+	705.07812	204.3
[M-H]-	681.08162	204.9
[M+NH4]+	700.12272	208.3
[M+K]+	721.05206	208.0
[M+H-H2O]+	665.08616	227.3
[M+HCOO]-	727.08710	229.6
[M+CH3COO]-	741.10275	262.0
[M+Na-2H]-	703.06357	250.0
[M]+	682.08835	194.8
[M]-	682.08945	194.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.09618

193.7

[M+Na]+

705.07812

204.3

[M-H]-

681.08162

204.9

[M+NH4]+

700.12272

208.3

[M+K]+

721.05206

208.0

[M+H-H2O]+

665.08616

227.3

[M+HCOO]-

727.08710

229.6

[M+CH3COO]-

741.10275

262.0

[M+Na-2H]-

703.06357

250.0

[M]+

682.08835

194.8

[M]-

682.08945

194.8

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

134051-90-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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