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 164.8
[M+Na]+ 293.00482 170.8
[M+NH4]+ 288.04942 173.2
[M+K]+ 308.97876 180.0
[M-H]- 269.00832 160.2
[M+Na-2H]- 290.99027 162.0
[M]+ 270.01505 166.4
[M]- 270.01615 166.4
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.