CID 13384224

Methyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate

Structural Information

Molecular Formula
C5H7F3O3
SMILES
CC(C(=O)OC)(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O3/c1-4(10,3(9)11-2)5(6,7)8/h10H,1-2H3
InChIKey
JQIVIJNGOXXHPV-UHFFFAOYSA-N
Compound name
methyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

172.03473 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.042006 128.9
[M+Na]+ 195.023948 137.3
[M-H]- 171.027454 124.6
[M+NH4]+ 190.068553 148.7
[M+K]+ 210.997888 137.3
[M+H-H2O]+ 155.031990 123.2
[M+HCOO]- 217.032931 145.3
[M+CH3COO]- 231.048581 175.0
[M+Na-2H]- 193.009396 134.7
[M]+ 172.03418142 125.9
[M]- 172.03527858 125.9
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