CID 211140

22394-35-0

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=C(C=CC(=C3)Cl)C(=O)O
InChI
InChI=1S/C16H11ClN2O2/c17-11-5-6-13(16(20)21)15(7-11)19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18H,(H,20,21)
InChIKey
ANTCCAUGGSQGIR-UHFFFAOYSA-N
Compound name
4-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 165.6
[M+Na]+ 321.04012 176.1
[M-H]- 297.04362 171.5
[M+NH4]+ 316.08472 182.3
[M+K]+ 337.01406 168.7
[M+H-H2O]+ 281.04816 158.5
[M+HCOO]- 343.04910 184.7
[M+CH3COO]- 357.06475 177.8
[M+Na-2H]- 319.02557 170.2
[M]+ 298.05035 168.6
[M]- 298.05145 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.