CID 100446

Carbonyl cyanide-4-nitro-2-chlorophenylhydrazone

Structural Information

Molecular Formula
C9H4ClN5O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NN=C(C#N)C#N
InChI
InChI=1S/C9H4ClN5O2/c10-8-3-7(15(16)17)1-2-9(8)14-13-6(4-11)5-12/h1-3,14H
InChIKey
CADJTWAMRPGJBG-UHFFFAOYSA-N
Compound name
2-[(2-chloro-4-nitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

249.00536 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01264 171.3
[M+Na]+ 271.99458 179.8
[M-H]- 247.99808 174.6
[M+NH4]+ 267.03918 181.9
[M+K]+ 287.96852 174.0
[M+H-H2O]+ 232.00262 159.0
[M+HCOO]- 294.00356 183.2
[M+CH3COO]- 308.01921 221.5
[M+Na-2H]- 269.98003 172.9
[M]+ 249.00481 162.7
[M]- 249.00591 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.