CID 9570338

2-chloropropenaldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C9H7ClN4O4
SMILES
C=C(/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])Cl
InChI
InChI=1S/C9H7ClN4O4/c1-6(10)5-11-12-8-3-2-7(13(15)16)4-9(8)14(17)18/h2-5,12H,1H2/b11-5+
InChIKey
VPOJIHJIEOKEHD-VZUCSPMQSA-N
Compound name
N-[(E)-2-chloroprop-2-enylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0156 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02288 157.2
[M+Na]+ 293.00482 162.4
[M-H]- 269.00832 161.5
[M+NH4]+ 288.04942 171.7
[M+K]+ 308.97876 151.6
[M+H-H2O]+ 253.01286 160.1
[M+HCOO]- 315.01380 181.1
[M+CH3COO]- 329.02945 191.0
[M+Na-2H]- 290.99027 164.7
[M]+ 270.01505 155.3
[M]- 270.01615 155.3
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.