CID 66121

2,3,5-trichlorobenzoic acid

Structural Information

Molecular Formula
C7H3Cl3O2
SMILES
C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey
CGFDSIZRJWMQPP-UHFFFAOYSA-N
Compound name
2,3,5-trichlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

308
Patents

223.91986 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.92714 138.3
[M+Na]+ 246.90908 153.3
[M+NH4]+ 241.95368 147.0
[M+K]+ 262.88302 146.3
[M-H]- 222.91258 139.4
[M+Na-2H]- 244.89453 144.8
[M]+ 223.91931 141.6
[M]- 223.92041 141.6
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