CID 12175336

90146-96-6

Structural Information

Molecular Formula

C₁₄H₁₄F₁₇O₃P

SMILES

CCOP(=O)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC

InChI

InChI=1S/C14H14F17O3P/c1-3-33-35(32,34-4-2)6-5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3-6H2,1-2H3

InChIKey

GYIWCCQPZCEECI-UHFFFAOYSA-N

Compound name

10-diethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 584.0409 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

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]+	585.048176	190.9
[M+Na]+	607.030118	194.5
[M-H]-	583.033624	198.2
[M+NH4]+	602.074723	202.1
[M+K]+	623.004058	203.6
[M+H-H2O]+	567.038160	173.4
[M+HCOO]-	629.039101	211.5
[M+CH3COO]-	643.054751	251.0
[M+Na-2H]-	605.015566	185.9
[M]+	584.04035142	189.3
[M]-	584.04144858	189.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe