CID 13620761

3,3,3-trifluoro-2-methylpropane-1,2-diol

Structural Information

Molecular Formula
C4H7F3O2
SMILES
CC(CO)(C(F)(F)F)O
InChI
InChI=1S/C4H7F3O2/c1-3(9,2-8)4(5,6)7/h8-9H,2H2,1H3
InChIKey
HHCFIFZKQHBABN-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-methylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 132.6
[M+Na]+ 167.02903 138.7
[M+NH4]+ 162.07363 137.1
[M+K]+ 183.00297 136.3
[M-H]- 143.03253 125.6
[M+Na-2H]- 165.01448 133.3
[M]+ 144.03926 131.1
[M]- 144.04036 131.1
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