CID 67037

2-(3-amino-4-chlorobenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H10ClNO3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)N)C(=O)O
InChI
InChI=1S/C14H10ClNO3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,16H2,(H,18,19)
InChIKey
MQECGSWGDQIHHD-UHFFFAOYSA-N
Compound name
2-(3-amino-4-chlorobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

275.0349 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04218 158.7
[M+Na]+ 298.02412 172.5
[M+NH4]+ 293.06872 166.1
[M+K]+ 313.99806 166.4
[M-H]- 274.02762 162.2
[M+Na-2H]- 296.00957 166.2
[M]+ 275.03435 161.8
[M]- 275.03545 161.8
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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