CID 961431

4-(5-chlorosalicylideneamino)benzoic acid

Structural Information

Molecular Formula
C14H10ClNO3
SMILES
C1=CC(=CC=C1C(=O)O)N=CC2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C14H10ClNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)
InChIKey
BYQLBBHRPPYIFB-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

275.0349 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04218 157.8
[M+Na]+ 298.02412 166.9
[M-H]- 274.02762 163.8
[M+NH4]+ 293.06872 174.0
[M+K]+ 313.99806 161.4
[M+H-H2O]+ 258.03216 151.6
[M+HCOO]- 320.03310 177.3
[M+CH3COO]- 334.04875 196.5
[M+Na-2H]- 296.00957 162.0
[M]+ 275.03435 160.0
[M]- 275.03545 160.0
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

patents stripe