CID 171653

Bis(3,3,3-trifluoropropyl)phosphoric acid

Structural Information

Molecular Formula
C6H9F6O4P
SMILES
C(COP(=O)(O)OCCC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H9F6O4P/c7-5(8,9)1-3-15-17(13,14)16-4-2-6(10,11)12/h1-4H2,(H,13,14)
InChIKey
CUIGEOXQGOPMKD-UHFFFAOYSA-N
Compound name
bis(3,3,3-trifluoropropyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

290.01425 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02153 158.4
[M+Na]+ 313.00347 166.4
[M-H]- 289.00697 148.7
[M+NH4]+ 308.04807 173.6
[M+K]+ 328.97741 165.1
[M+H-H2O]+ 273.01151 147.2
[M+HCOO]- 335.01245 175.7
[M+CH3COO]- 349.02810 195.5
[M+Na-2H]- 310.98892 161.1
[M]+ 290.01370 154.7
[M]- 290.01480 154.7
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