CID 14500152

2-(trifluoromethyl)propane-1,3-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.03981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04709 131.8
[M+Na]+ 167.02903 137.9
[M+NH4]+ 162.07363 136.4
[M+K]+ 183.00297 135.0
[M-H]- 143.03253 125.2
[M+Na-2H]- 165.01448 132.3
[M]+ 144.03926 130.2
[M]- 144.04036 130.2
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

patents stripe