CID 138396490

2,2,3,3,4,4,4-heptafluorobutyl dihydrogen phosphate

Structural Information

Molecular Formula
C4H4F7O4P
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(O)O
InChI
InChI=1S/C4H4F7O4P/c5-2(6,1-15-16(12,13)14)3(7,8)4(9,10)11/h1H2,(H2,12,13,14)
InChIKey
HNXRUJNJBSQJJX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

279.97354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98082 152.0
[M+Na]+ 302.96276 160.6
[M-H]- 278.96626 140.3
[M+NH4]+ 298.00736 166.6
[M+K]+ 318.93670 159.1
[M+H-H2O]+ 262.97080 141.1
[M+HCOO]- 324.97174 165.7
[M+CH3COO]- 338.98739 191.4
[M+Na-2H]- 300.94821 156.0
[M]+ 279.97299 143.5
[M]- 279.97409 143.5
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