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

57
Patents

584.0409 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.04818 190.9
[M+Na]+ 607.03012 194.5
[M-H]- 583.03362 198.2
[M+NH4]+ 602.07472 202.1
[M+K]+ 623.00406 203.6
[M+H-H2O]+ 567.03816 173.4
[M+HCOO]- 629.03910 211.5
[M+CH3COO]- 643.05475 251.0
[M+Na-2H]- 605.01557 185.9
[M]+ 584.04035 189.3
[M]- 584.04145 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe