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

No literature data available for this compound.

Patent stripe

patents stripe