CID 12179658

2-hydroxy-4-(trifluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H5F3O4
SMILES
C1=CC(=C(C=C1OC(F)(F)F)O)C(=O)O
InChI
InChI=1S/C8H5F3O4/c9-8(10,11)15-4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)
InChIKey
SJLOQRYZOOOBKV-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(trifluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

222.01399 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.021266 138.4
[M+Na]+ 245.003208 147.7
[M-H]- 221.006714 136.2
[M+NH4]+ 240.047813 155.5
[M+K]+ 260.977148 145.4
[M+H-H2O]+ 205.011250 131.1
[M+HCOO]- 267.012191 155.6
[M+CH3COO]- 281.027841 181.6
[M+Na-2H]- 242.988656 142.7
[M]+ 222.01344142 135.3
[M]- 222.01453858 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