CID 19300

((o-chlorophenyl)azo)methylmalononitrile

Structural Information

Molecular Formula
C10H7ClN4
SMILES
C1=CC=C(C(=C1)N=NCC(C#N)C#N)Cl
InChI
InChI=1S/C10H7ClN4/c11-9-3-1-2-4-10(9)15-14-7-8(5-12)6-13/h1-4,8H,7H2
InChIKey
HLTXLQRPVIBKGQ-UHFFFAOYSA-N
Compound name
2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.03592 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.043196 159.8
[M+Na]+ 241.025138 169.6
[M-H]- 217.028644 164.4
[M+NH4]+ 236.069743 172.7
[M+K]+ 256.999078 165.6
[M+H-H2O]+ 201.033180 144.4
[M+HCOO]- 263.034121 172.3
[M+CH3COO]- 277.049771 223.7
[M+Na-2H]- 239.010586 162.4
[M]+ 218.03537142 153.6
[M]- 218.03646858 153.6
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

patents stripe