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

50
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 142.6
[M+Na]+ 259.01887 151.9
[M-H]- 235.02237 141.7
[M+NH4]+ 254.06347 159.9
[M+K]+ 274.99281 150.3
[M+H-H2O]+ 219.02691 134.8
[M+HCOO]- 281.02785 161.0
[M+CH3COO]- 295.04350 187.1
[M+Na-2H]- 257.00432 146.9
[M]+ 236.02910 141.7
[M]- 236.03020 141.7
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