CID 14027071

2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate

Structural Information

Molecular Formula
C5H5F8O4P
SMILES
C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OP(=O)(O)O
InChI
InChI=1S/C5H5F8O4P/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H2,14,15,16)
InChIKey
BDVNNZWWTACUNL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluoropentyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

311.97977 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.98705 158.3
[M+Na]+ 334.96899 166.2
[M-H]- 310.97249 145.3
[M+NH4]+ 330.01359 144.2
[M+K]+ 350.94293 164.6
[M+H-H2O]+ 294.97703 146.4
[M+HCOO]- 356.97797 169.6
[M+CH3COO]- 370.99362 198.7
[M+Na-2H]- 332.95444 160.2
[M]+ 311.97922 148.1
[M]- 311.98032 148.1
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

patents stripe