CID 6518748

Acetyl chloride 4-nitrophenylhydrazone

Structural Information

Molecular Formula
C8H8ClN3O2
SMILES
C/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/Cl
InChI
InChI=1S/C8H8ClN3O2/c1-6(9)10-11-7-2-4-8(5-3-7)12(13)14/h2-5,11H,1H3/b10-6+
InChIKey
CFIKOWBSAOYPIS-UXBLZVDNSA-N
Compound name
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0305 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03778 142.6
[M+Na]+ 236.01972 149.3
[M-H]- 212.02322 147.3
[M+NH4]+ 231.06432 161.1
[M+K]+ 251.99366 142.7
[M+H-H2O]+ 196.02776 141.6
[M+HCOO]- 258.02870 166.7
[M+CH3COO]- 272.04435 185.9
[M+Na-2H]- 234.00517 150.4
[M]+ 213.02995 142.4
[M]- 213.03105 142.4
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.