CID 44220128

2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetic acid

Structural Information

Molecular Formula
C9H7F3O4
SMILES
C1=CC(=C(C=C1CC(=O)O)OC(F)(F)F)O
InChI
InChI=1S/C9H7F3O4/c10-9(11,12)16-7-3-5(4-8(14)15)1-2-6(7)13/h1-3,13H,4H2,(H,14,15)
InChIKey
GGDDNMHLMQAEFR-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.02965 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03693 151.5
[M+Na]+ 259.01887 159.0
[M+NH4]+ 254.06347 155.2
[M+K]+ 274.99281 156.1
[M-H]- 235.02237 146.2
[M+Na-2H]- 257.00432 153.3
[M]+ 236.02910 150.6
[M]- 236.03020 150.6
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.