CID 58381320

1316831-23-8

Structural Information

Molecular Formula
C10H9F3O3
SMILES
CC1=CC(=CC(=C1C(=O)O)OC)C(F)(F)F
InChI
InChI=1S/C10H9F3O3/c1-5-3-6(10(11,12)13)4-7(16-2)8(5)9(14)15/h3-4H,1-2H3,(H,14,15)
InChIKey
CUVOSVINLTVXGT-UHFFFAOYSA-N
Compound name
2-methoxy-6-methyl-4-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

234.05038 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057656 143.6
[M+Na]+ 257.039598 153.5
[M-H]- 233.043104 143.0
[M+NH4]+ 252.084203 161.4
[M+K]+ 273.013538 151.2
[M+H-H2O]+ 217.047640 136.2
[M+HCOO]- 279.048581 161.5
[M+CH3COO]- 293.064231 189.3
[M+Na-2H]- 255.025046 146.6
[M]+ 234.04983142 142.1
[M]- 234.05092858 142.1
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