CID 9570576

Butyryl chloride, p-nitrophenylhydrazone

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
CCC/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/Cl
InChI
InChI=1S/C10H12ClN3O2/c1-2-3-10(11)13-12-8-4-6-9(7-5-8)14(15)16/h4-7,12H,2-3H2,1H3/b13-10-
InChIKey
WLDJRDGXKZWJLL-RAXLEYEMSA-N
Compound name
(1Z)-N-(4-nitrophenyl)butanehydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.069076 152.3
[M+Na]+ 264.051018 158.1
[M-H]- 240.054524 156.7
[M+NH4]+ 259.095623 169.7
[M+K]+ 280.024958 151.1
[M+H-H2O]+ 224.059060 150.8
[M+HCOO]- 286.060001 175.7
[M+CH3COO]- 300.075651 192.0
[M+Na-2H]- 262.036466 159.0
[M]+ 241.06125142 152.8
[M]- 241.06234858 152.8
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.