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 162.5
[M+Na]+ 255.04079 172.0
[M-H]- 231.04429 166.9
[M+NH4]+ 250.08539 175.0
[M+K]+ 271.01473 167.8
[M+H-H2O]+ 215.04883 146.9
[M+HCOO]- 277.04977 174.7
[M+CH3COO]- 291.06542 225.6
[M+Na-2H]- 253.02624 164.7
[M]+ 232.05102 156.5
[M]- 232.05212 156.5
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.