CID 2829260

Gmbofsynquiekm-uhfffaoysa-n

Structural Information

Molecular Formula
C8H5F14O4P
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F14O4P/c9-3(10,5(13,14)7(17,18)19)1-25-27(23,24)26-2-4(11,12)6(15,16)8(20,21)22/h1-2H2,(H,23,24)
InChIKey
IMTQAXXGMKWUNS-UHFFFAOYSA-N
Compound name
bis(2,2,3,3,4,4,4-heptafluorobutyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

461.97018 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.977456 161.1
[M+Na]+ 484.959398 165.3
[M-H]- 460.962904 166.8
[M+NH4]+ 480.004003 169.2
[M+K]+ 500.933338 168.9
[M+H-H2O]+ 444.967440 145.5
[M+HCOO]- 506.968381 182.7
[M+CH3COO]- 520.984031 226.6
[M+Na-2H]- 482.944846 156.8
[M]+ 461.96963142 157.9
[M]- 461.97072858 157.9
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.