CID 75530459

1286762-00-2

Structural Information

Molecular Formula
C4H5F3O3
SMILES
C[C@@H](C(=O)O)OC(F)(F)F
InChI
InChI=1S/C4H5F3O3/c1-2(3(8)9)10-4(5,6)7/h2H,1H3,(H,8,9)/t2-/m0/s1
InChIKey
DTDBPQYWQLGLLH-REOHCLBHSA-N
Compound name
(2S)-2-(trifluoromethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.01907 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02635 124.6
[M+Na]+ 181.00829 132.6
[M-H]- 157.01179 120.1
[M+NH4]+ 176.05289 144.7
[M+K]+ 196.98223 132.9
[M+H-H2O]+ 141.01633 118.4
[M+HCOO]- 203.01727 141.8
[M+CH3COO]- 217.03292 173.1
[M+Na-2H]- 178.99374 128.8
[M]+ 158.01852 121.2
[M]- 158.01962 121.2
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

No patent data available for this compound.