CID 9570831

Acetyl chloride, 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C8H7ClN4O4
SMILES
C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/Cl
InChI
InChI=1S/C8H7ClN4O4/c1-5(9)10-11-7-3-2-6(12(14)15)4-8(7)13(16)17/h2-4,11H,1H3/b10-5-
InChIKey
PKLGUUVOXWNFSD-YHYXMXQVSA-N
Compound name
(1Z)-N-(2,4-dinitrophenyl)ethanehydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0156 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02288 153.1
[M+Na]+ 281.00482 158.4
[M-H]- 257.00832 157.5
[M+NH4]+ 276.04942 168.1
[M+K]+ 296.97876 148.4
[M+H-H2O]+ 241.01286 156.1
[M+HCOO]- 303.01380 177.1
[M+CH3COO]- 317.02945 189.1
[M+Na-2H]- 278.99027 161.0
[M]+ 258.01505 151.5
[M]- 258.01615 151.5
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.