CID 17763203

4,4,4-trifluorobutane-1,2-diol

Structural Information

Molecular Formula
C4H7F3O2
SMILES
C(C(CO)O)C(F)(F)F
InChI
InChI=1S/C4H7F3O2/c5-4(6,7)1-3(9)2-8/h3,8-9H,1-2H2
InChIKey
PUJVEZNNSKLBOA-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

144.03981 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.047086 124.4
[M+Na]+ 167.029028 131.9
[M-H]- 143.032534 118.3
[M+NH4]+ 162.073633 144.4
[M+K]+ 183.002968 130.9
[M+H-H2O]+ 127.037070 118.3
[M+HCOO]- 189.038011 140.5
[M+CH3COO]- 203.053661 168.5
[M+Na-2H]- 165.014476 129.1
[M]+ 144.03926142 118.9
[M]- 144.04035858 118.9
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