CID 22364

((3-chloro-4-nitrophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H4ClN5O2
SMILES
C1=CC(=C(C=C1N=NC(C#N)C#N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H4ClN5O2/c10-8-3-6(1-2-9(8)15(16)17)13-14-7(4-11)5-12/h1-3,7H
InChIKey
FSFHZPMXZVQJJS-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-nitrophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.00536 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01264 170.0
[M+Na]+ 271.99458 178.8
[M-H]- 247.99808 174.2
[M+NH4]+ 267.03918 181.1
[M+K]+ 287.96852 173.4
[M+H-H2O]+ 232.00262 157.4
[M+HCOO]- 294.00356 182.9
[M+CH3COO]- 308.01921 223.2
[M+Na-2H]- 269.98003 172.0
[M]+ 249.00481 162.6
[M]- 249.00591 162.6
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.