CID 101289

71936-93-1

Structural Information

Molecular Formula
C14H9Cl2NO2
SMILES
C1=CC=C(C(=C1)C(=O)O)N=CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO2/c15-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)14(18)19/h1-8H,(H,18,19)
InChIKey
DKXQJNDBYUBOGF-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.00104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00832 160.9
[M+Na]+ 315.99026 170.9
[M-H]- 291.99376 167.4
[M+NH4]+ 311.03486 177.6
[M+K]+ 331.96420 164.3
[M+H-H2O]+ 275.99830 155.2
[M+HCOO]- 337.99924 176.5
[M+CH3COO]- 352.01489 201.1
[M+Na-2H]- 313.97571 164.7
[M]+ 293.00049 164.8
[M]- 293.00159 164.8
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.