CID 51057181

(2-((2-chlorobenzylidene)amino)phenyl)acetic acid

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
C1=CC=C(C(=C1)CC(=O)O)N=CC2=CC=CC=C2Cl
InChI
InChI=1S/C15H12ClNO2/c16-13-7-3-1-6-12(13)10-17-14-8-4-2-5-11(14)9-15(18)19/h1-8,10H,9H2,(H,18,19)
InChIKey
OGRWTFARUMMHOL-UHFFFAOYSA-N
Compound name
2-[2-[(2-chlorophenyl)methylideneamino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.05566 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06294 159.7
[M+Na]+ 296.04488 168.0
[M-H]- 272.04838 166.5
[M+NH4]+ 291.08948 176.4
[M+K]+ 312.01882 162.4
[M+H-H2O]+ 256.05292 152.8
[M+HCOO]- 318.05386 180.1
[M+CH3COO]- 332.06951 198.5
[M+Na-2H]- 294.03033 164.4
[M]+ 273.05511 162.2
[M]- 273.05621 162.2
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.