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]+ 299.05818 165.5
[M+Na]+ 321.04012 180.6
[M+NH4]+ 316.08472 173.6
[M+K]+ 337.01406 174.2
[M-H]- 297.04362 169.4
[M+Na-2H]- 319.02557 173.6
[M]+ 298.05035 169.0
[M]- 298.05145 169.0
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.