CID 18234

2-phenylmalononitrile

Structural Information

Molecular Formula
C9H6N2
SMILES
C1=CC=C(C=C1)C(C#N)C#N
InChI
InChI=1S/C9H6N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H
InChIKey
OFCTVAYVCDCQDA-UHFFFAOYSA-N
Compound name
2-phenylpropanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

204
Patents

142.0531 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06038 160.9
[M+Na]+ 165.04232 170.0
[M+NH4]+ 160.08692 162.3
[M+K]+ 181.01626 159.1
[M-H]- 141.04582 151.5
[M+Na-2H]- 163.02777 161.2
[M]+ 142.05255 158.3
[M]- 142.05365 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe