CID 6877416

3-chloro-n'-(2-thienylmethylene)benzohydrazide

Structural Information

Molecular Formula
C12H9ClN2OS
SMILES
C1=CC(=CC(=C1)Cl)C(=O)N/N=C/C2=CC=CS2
InChI
InChI=1S/C12H9ClN2OS/c13-10-4-1-3-9(7-10)12(16)15-14-8-11-5-2-6-17-11/h1-8H,(H,15,16)/b14-8+
InChIKey
PGCLUXCFPDLOLH-RIYZIHGNSA-N
Compound name
3-chloro-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01242 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01970 158.2
[M+Na]+ 287.00164 166.9
[M-H]- 263.00514 166.8
[M+NH4]+ 282.04624 178.1
[M+K]+ 302.97558 161.5
[M+H-H2O]+ 247.00968 151.8
[M+HCOO]- 309.01062 177.4
[M+CH3COO]- 323.02627 196.7
[M+Na-2H]- 284.98709 160.7
[M]+ 264.01187 161.9
[M]- 264.01297 161.9
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.