CID 9616365

4-chloro-n'-[(e)-(5-nitrothiophen-2-yl)methylidene]benzohydrazide

Structural Information

Molecular Formula
C12H8ClN3O3S
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H8ClN3O3S/c13-9-3-1-8(2-4-9)12(17)15-14-7-10-5-6-11(20-10)16(18)19/h1-7H,(H,15,17)/b14-7+
InChIKey
ZSQGVNSLKUHWQX-VGOFMYFVSA-N
Compound name
4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

308.9975 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.00478 167.9
[M+Na]+ 331.98672 174.5
[M-H]- 307.99022 176.1
[M+NH4]+ 327.03132 184.5
[M+K]+ 347.96066 165.6
[M+H-H2O]+ 291.99476 165.6
[M+HCOO]- 353.99570 187.6
[M+CH3COO]- 368.01135 198.8
[M+Na-2H]- 329.97217 171.4
[M]+ 308.99695 169.8
[M]- 308.99805 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.