CID 18082

Malononitrile, (p-chlorobenzyl)-

Structural Information

Molecular Formula
C10H7ClN2
SMILES
C1=CC(=CC=C1CC(C#N)C#N)Cl
InChI
InChI=1S/C10H7ClN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9H,5H2
InChIKey
KZVZSAZGEKLWOJ-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

190.02977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03705 152.3
[M+Na]+ 213.01899 163.1
[M-H]- 189.02249 155.8
[M+NH4]+ 208.06359 165.9
[M+K]+ 228.99293 157.8
[M+H-H2O]+ 173.02703 138.2
[M+HCOO]- 235.02797 162.0
[M+CH3COO]- 249.04362 215.0
[M+Na-2H]- 211.00444 154.6
[M]+ 190.02922 145.5
[M]- 190.03032 145.5
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.