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]+ 462.97746 161.1
[M+Na]+ 484.95940 165.3
[M-H]- 460.96290 166.8
[M+NH4]+ 480.00400 169.2
[M+K]+ 500.93334 168.9
[M+H-H2O]+ 444.96744 145.5
[M+HCOO]- 506.96838 182.7
[M+CH3COO]- 520.98403 226.6
[M+Na-2H]- 482.94485 156.8
[M]+ 461.96963 157.9
[M]- 461.97073 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.