CID 2775103

5-trifluoromethoxysalicylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

74
Patents

222.01399 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe