CID 211141

N-3-chlorophenylanthranilic acid

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=C(C=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C16H11ClN2O2/c17-11-5-6-15(13(7-11)16(20)21)19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18H,(H,20,21)
InChIKey
AOUDELCVHFNPNB-UHFFFAOYSA-N
Compound name
5-chloro-2-(1H-indol-3-ylmethylideneamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0509 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.058176 165.6
[M+Na]+ 321.040118 176.1
[M-H]- 297.043624 171.5
[M+NH4]+ 316.084723 182.3
[M+K]+ 337.014058 168.7
[M+H-H2O]+ 281.048160 158.5
[M+HCOO]- 343.049101 184.7
[M+CH3COO]- 357.064751 177.8
[M+Na-2H]- 319.025566 170.2
[M]+ 298.05035142 168.6
[M]- 298.05144858 168.6
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

No patent data available for this compound.