CID 101657

[2-(trifluoromethyl)phenyl]glycolic acid

Structural Information

Molecular Formula
C9H7F3O3
SMILES
C1=CC=C(C(=C1)C(C(=O)O)O)C(F)(F)F
InChI
InChI=1S/C9H7F3O3/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
InChIKey
QNVLFHMMPUBIIN-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

220.03473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.042006 140.6
[M+Na]+ 243.023948 148.3
[M-H]- 219.027454 137.9
[M+NH4]+ 238.068553 157.4
[M+K]+ 258.997888 145.7
[M+H-H2O]+ 203.031990 133.1
[M+HCOO]- 265.032931 156.2
[M+CH3COO]- 279.048581 182.2
[M+Na-2H]- 241.009396 143.6
[M]+ 220.03418142 135.3
[M]- 220.03527858 135.3
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