CID 2775295

4-methoxy-3-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C9H7F3O3
SMILES
COC1=C(C=C(C=C1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H7F3O3/c1-15-7-3-2-5(8(13)14)4-6(7)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey
VNWUPESTVBTYJM-UHFFFAOYSA-N
Compound name
4-methoxy-3-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

220.03473 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04201 149.0
[M+Na]+ 243.02395 157.5
[M+NH4]+ 238.06855 153.5
[M+K]+ 258.99789 153.7
[M-H]- 219.02745 144.6
[M+Na-2H]- 241.00940 151.8
[M]+ 220.03418 148.6
[M]- 220.03528 148.6
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