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]+ 259.022876 153.1
[M+Na]+ 281.004818 158.4
[M-H]- 257.008324 157.5
[M+NH4]+ 276.049423 168.1
[M+K]+ 296.978758 148.4
[M+H-H2O]+ 241.012860 156.1
[M+HCOO]- 303.013801 177.1
[M+CH3COO]- 317.029451 189.1
[M+Na-2H]- 278.990266 161.0
[M]+ 258.01505142 151.5
[M]- 258.01614858 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.