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]+ 219.04320 159.8
[M+Na]+ 241.02514 169.6
[M-H]- 217.02864 164.4
[M+NH4]+ 236.06974 172.7
[M+K]+ 256.99908 165.6
[M+H-H2O]+ 201.03318 144.4
[M+HCOO]- 263.03412 172.3
[M+CH3COO]- 277.04977 223.7
[M+Na-2H]- 239.01059 162.4
[M]+ 218.03537 153.6
[M]- 218.03647 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