CID 9588283

Propionyl chloride 2-nitrophenylhydrazone

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
CC/C(=N/NC1=CC=CC=C1[N+](=O)[O-])/Cl
InChI
InChI=1S/C9H10ClN3O2/c1-2-9(10)12-11-7-5-3-4-6-8(7)13(14)15/h3-6,11H,2H2,1H3/b12-9-
InChIKey
JBMCCMBXMOYFOZ-XFXZXTDPSA-N
Compound name
(1Z)-N-(2-nitrophenyl)propanehydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04616 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 147.4
[M+Na]+ 250.03538 153.7
[M-H]- 226.03888 152.0
[M+NH4]+ 245.07998 165.4
[M+K]+ 266.00932 146.9
[M+H-H2O]+ 210.04342 146.2
[M+HCOO]- 272.04436 171.2
[M+CH3COO]- 286.06001 188.9
[M+Na-2H]- 248.02083 154.7
[M]+ 227.04561 147.6
[M]- 227.04671 147.6
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.