CID 9578708

Propionyl chloride, p-nitrophenylhydrazone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04616 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.053436 147.4
[M+Na]+ 250.035378 153.7
[M-H]- 226.038884 152.0
[M+NH4]+ 245.079983 165.4
[M+K]+ 266.009318 146.9
[M+H-H2O]+ 210.043420 146.2
[M+HCOO]- 272.044361 171.2
[M+CH3COO]- 286.060011 188.9
[M+Na-2H]- 248.020826 154.7
[M]+ 227.04561142 147.6
[M]- 227.04670858 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.