CID 118327157

2,3,3,3-tetrafluoropropane-1,2-diol

Structural Information

Molecular Formula
C3H4F4O2
SMILES
C(C(C(F)(F)F)(O)F)O
InChI
InChI=1S/C3H4F4O2/c4-2(9,1-8)3(5,6)7/h8-9H,1H2
InChIKey
SUHSDXYIQYZENU-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoropropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

148.01474 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02202 121.8
[M+Na]+ 171.00396 130.4
[M-H]- 147.00746 114.8
[M+NH4]+ 166.04856 141.7
[M+K]+ 186.97790 129.2
[M+H-H2O]+ 131.01200 115.6
[M+HCOO]- 193.01294 136.7
[M+CH3COO]- 207.02859 168.1
[M+Na-2H]- 168.98941 128.5
[M]+ 148.01419 114.8
[M]- 148.01529 114.8
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