CID 84731971

3,3,3-trifluoro-2-(methoxymethyl)propanoic acid

Structural Information

Molecular Formula
C5H7F3O3
SMILES
COCC(C(=O)O)C(F)(F)F
InChI
InChI=1S/C5H7F3O3/c1-11-2-3(4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChIKey
QWMOPCCJPQSJAN-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(methoxymethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04201 129.4
[M+Na]+ 195.02395 137.0
[M-H]- 171.02745 124.7
[M+NH4]+ 190.06855 148.9
[M+K]+ 210.99789 137.0
[M+H-H2O]+ 155.03199 123.0
[M+HCOO]- 217.03293 146.3
[M+CH3COO]- 231.04858 176.1
[M+Na-2H]- 193.00940 133.1
[M]+ 172.03418 126.4
[M]- 172.03528 126.4
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

No patent data available for this compound.