CID 3258908

2-methoxy-4-(trifluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C9H7F3O4
SMILES
COC1=C(C=CC(=C1)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C9H7F3O4/c1-15-7-4-5(16-9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChIKey
GZSXIWDPTFEOFF-UHFFFAOYSA-N
Compound name
2-methoxy-4-(trifluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

236.02965 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03693 151.7
[M+Na]+ 259.01887 159.7
[M+NH4]+ 254.06347 155.7
[M+K]+ 274.99281 156.4
[M-H]- 235.02237 146.8
[M+Na-2H]- 257.00432 154.0
[M]+ 236.02910 151.0
[M]- 236.03020 151.0
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