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

26
Patents

222.01399 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02127 138.4
[M+Na]+ 245.00321 147.7
[M-H]- 221.00671 136.2
[M+NH4]+ 240.04781 155.5
[M+K]+ 260.97715 145.4
[M+H-H2O]+ 205.01125 131.1
[M+HCOO]- 267.01219 155.6
[M+CH3COO]- 281.02784 181.6
[M+Na-2H]- 242.98866 142.7
[M]+ 222.01344 135.3
[M]- 222.01454 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