CID 101511824

3,3,4,4,5,5,6,6,6-nonafluorohexyl dihydrogen phosphate

Structural Information

Molecular Formula
C6H6F9O4P
SMILES
C(COP(=O)(O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H6F9O4P/c7-3(8,1-2-19-20(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18)
InChIKey
BBLFCNLVILKUEU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

343.986 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99328 167.3
[M+Na]+ 366.97522 175.5
[M-H]- 342.97872 153.4
[M+NH4]+ 362.01982 147.6
[M+K]+ 382.94916 173.4
[M+H-H2O]+ 326.98326 154.9
[M+HCOO]- 388.98420 165.3
[M+CH3COO]- 402.99985 203.9
[M+Na-2H]- 364.96067 170.7
[M]+ 343.98545 155.9
[M]- 343.98655 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe