CID 12104550

2-amino-4,5-dichlorobenzoic acid

Structural Information

Molecular Formula
C7H5Cl2NO2
SMILES
C1=C(C(=CC(=C1Cl)Cl)N)C(=O)O
InChI
InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
InChIKey
MQWFRBVVABTUKS-UHFFFAOYSA-N
Compound name
2-amino-4,5-dichlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
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

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Patent stripe

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