CID 76036

2-amino-3,5-dichlorobenzoic acid

Structural Information

Molecular Formula
C7H5Cl2NO2
SMILES
C1=C(C=C(C(=C1C(=O)O)N)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey
KTHTXLUIEAIGCD-UHFFFAOYSA-N
Compound name
2-amino-3,5-dichlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

448
Patents

204.96973 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.97701 135.8
[M+Na]+ 227.95895 146.6
[M-H]- 203.96245 138.0
[M+NH4]+ 223.00355 155.4
[M+K]+ 243.93289 141.4
[M+H-H2O]+ 187.96699 132.9
[M+HCOO]- 249.96793 150.0
[M+CH3COO]- 263.98358 183.1
[M+Na-2H]- 225.94440 139.3
[M]+ 204.96918 137.1
[M]- 204.97028 137.1
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