CID 9574256

2-chlorobenzoic acid, (2,6-dichloro-3-methoxybenzylidene)hydrazide

Structural Information

Molecular Formula
C15H11Cl3N2O2
SMILES
COC1=C(C(=C(C=C1)Cl)/C=N/NC(=O)C2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C15H11Cl3N2O2/c1-22-13-7-6-12(17)10(14(13)18)8-19-20-15(21)9-4-2-3-5-11(9)16/h2-8H,1H3,(H,20,21)/b19-8+
InChIKey
QVOKOLHPGZQFLA-UFWORHAWSA-N
Compound name
2-chloro-N-[(E)-(2,6-dichloro-3-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.98862 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99590 177.4
[M+Na]+ 378.97784 187.3
[M-H]- 354.98134 183.9
[M+NH4]+ 374.02244 192.1
[M+K]+ 394.95178 180.7
[M+H-H2O]+ 338.98588 171.6
[M+HCOO]- 400.98682 189.5
[M+CH3COO]- 415.00247 216.5
[M+Na-2H]- 376.96329 179.4
[M]+ 355.98807 183.4
[M]- 355.98917 183.4
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.