CID 12489685

Bis((perfluoropropyl)methyl) phosphorochloridoate

Structural Information

Molecular Formula
C8H4ClF14O3P
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C8H4ClF14O3P/c9-27(24,25-1-3(10,11)5(14,15)7(18,19)20)26-2-4(12,13)6(16,17)8(21,22)23/h1-2H2
InChIKey
BBXKVTNUHGNTHE-UHFFFAOYSA-N
Compound name
4-[chloro(2,2,3,3,4,4,4-heptafluorobutoxy)phosphoryl]oxy-1,1,1,2,2,3,3-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

479.9363 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.94358 165.4
[M+Na]+ 502.92552 171.3
[M-H]- 478.92902 171.5
[M+NH4]+ 497.97012 175.4
[M+K]+ 518.89946 175.5
[M+H-H2O]+ 462.93356 151.3
[M+HCOO]- 524.93450 188.6
[M+CH3COO]- 538.95015 230.2
[M+Na-2H]- 500.91097 162.3
[M]+ 479.93575 165.4
[M]- 479.93685 165.4
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