CID 19433

((m-chlorophenyl)azo)ethylmalononitrile

Structural Information

Molecular Formula
C11H9ClN4
SMILES
C1=CC(=CC(=C1)Cl)N=NCCC(C#N)C#N
InChI
InChI=1S/C11H9ClN4/c12-10-2-1-3-11(6-10)16-15-5-4-9(7-13)8-14/h1-3,6,9H,4-5H2
InChIKey
QQOCBJPXXHBRDV-UHFFFAOYSA-N
Compound name
2-[2-[(3-chlorophenyl)diazenyl]ethyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05885 176.4
[M+Na]+ 255.04079 184.9
[M+NH4]+ 250.08539 177.3
[M+K]+ 271.01473 173.4
[M-H]- 231.04429 167.7
[M+Na-2H]- 253.02624 176.3
[M]+ 232.05102 174.0
[M]- 232.05212 174.0
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.