CID 71587110

Undecafluorocyclohexanemethanol dihydrogen phosphate

Structural Information

Molecular Formula
C7H4F11O4P
SMILES
C(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)OP(=O)(O)O
InChI
InChI=1S/C7H4F11O4P/c8-2(1-22-23(19,20)21)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h1H2,(H2,19,20,21)
InChIKey
QQIDKFGJPVLPAY-UHFFFAOYSA-N
Compound name
(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.96716 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.97444 154.5
[M+Na]+ 414.95638 169.8
[M-H]- 390.95988 144.2
[M+NH4]+ 410.00098 176.6
[M+K]+ 430.93032 167.1
[M+H-H2O]+ 374.96442 146.5
[M+HCOO]- 436.96536 165.2
[M+CH3COO]- 450.98101 212.9
[M+Na-2H]- 412.94183 158.9
[M]+ 391.96661 144.0
[M]- 391.96771 144.0
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.