CID 9570575

Acetyl chloride, o-nitrophenylhydrazone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0305 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.037776 142.6
[M+Na]+ 236.019718 149.3
[M-H]- 212.023224 147.3
[M+NH4]+ 231.064323 161.1
[M+K]+ 251.993658 142.7
[M+H-H2O]+ 196.027760 141.6
[M+HCOO]- 258.028701 166.7
[M+CH3COO]- 272.044351 185.9
[M+Na-2H]- 234.005166 150.4
[M]+ 213.02995142 142.4
[M]- 213.03104858 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.