CID 138396247

Dtxsid40893317

Structural Information

Molecular Formula
C10H8F15O5P
SMILES
C(C(COP(=O)(O)O)O)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F15O5P/c11-4(12,1-3(26)2-30-31(27,28)29)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,26H,1-2H2,(H2,27,28,29)
InChIKey
FLTAYQUFCBSJOH-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

523.987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.99428 171.4
[M+Na]+ 546.97622 173.1
[M-H]- 522.97972 179.7
[M+NH4]+ 542.02082 178.6
[M+K]+ 562.95016 179.5
[M+H-H2O]+ 506.98426 152.9
[M+HCOO]- 568.98520 187.4
[M+CH3COO]- 583.00085 233.0
[M+Na-2H]- 544.96167 165.6
[M]+ 523.98645 167.2
[M]- 523.98755 167.2
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.