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

54
Patents

172.03473 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04201 128.9
[M+Na]+ 195.02395 137.3
[M-H]- 171.02745 124.6
[M+NH4]+ 190.06855 148.7
[M+K]+ 210.99789 137.3
[M+H-H2O]+ 155.03199 123.2
[M+HCOO]- 217.03293 145.3
[M+CH3COO]- 231.04858 175.0
[M+Na-2H]- 193.00940 134.7
[M]+ 172.03418 125.9
[M]- 172.03528 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