CID 9687651

3,4-dichloro-n-(2-(2-(2,4-dichlorobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H11Cl4N3O2
SMILES
C1=CC(=C(C=C1C(=O)NCC(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H11Cl4N3O2/c17-11-3-1-10(13(19)6-11)7-22-23-15(24)8-21-16(25)9-2-4-12(18)14(20)5-9/h1-7H,8H2,(H,21,25)(H,23,24)/b22-7+
InChIKey
CTCASAUDPFVSAX-QPJQQBGISA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.96054 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.96782 192.2
[M+Na]+ 439.94976 200.3
[M-H]- 415.95326 196.7
[M+NH4]+ 434.99436 203.8
[M+K]+ 455.92370 193.6
[M+H-H2O]+ 399.95780 187.0
[M+HCOO]- 461.95874 198.6
[M+CH3COO]- 475.97439 228.1
[M+Na-2H]- 437.93521 191.5
[M]+ 416.95999 196.2
[M]- 416.96109 196.2
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.