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 143.2
[M+Na]+ 259.01887 152.0
[M-H]- 235.02237 140.8
[M+NH4]+ 254.06347 159.7
[M+K]+ 274.99281 149.5
[M+H-H2O]+ 219.02691 135.6
[M+HCOO]- 281.02785 160.0
[M+CH3COO]- 295.04350 184.6
[M+Na-2H]- 257.00432 146.9
[M]+ 236.02910 140.4
[M]- 236.03020 140.4
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

patents stripe