CID 91998151

Dtxsid60896709

Structural Information

Molecular Formula
C16H18F17O3P
SMILES
CC(C)OP(=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)OC(C)C
InChI
InChI=1S/C16H18F17O3P/c1-7(2)35-37(34,36-8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3
InChIKey
NUHXZXDKWWVPIK-UHFFFAOYSA-N
Compound name
10-di(propan-2-yloxy)phosphoryl-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

0
Patents

612.0722 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.07948 203.5
[M+Na]+ 635.06142 207.7
[M-H]- 611.06492 212.9
[M+NH4]+ 630.10602 217.3
[M+K]+ 651.03536 218.1
[M+H-H2O]+ 595.06946 186.7
[M+HCOO]- 657.07040 219.3
[M+CH3COO]- 671.08605 256.6
[M+Na-2H]- 633.04687 198.3
[M]+ 612.07165 202.1
[M]- 612.07275 202.1
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

No patent data available for this compound.