CID 26093

Brn 2575899

Structural Information

Molecular Formula
C12H6N2
SMILES
C1=CC=C(C=C1)C#CC=C(C#N)C#N
InChI
InChI=1S/C12H6N2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,8H
InChIKey
XSWQETQYZLSTJB-UHFFFAOYSA-N
Compound name
2-(3-phenylprop-2-ynylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0531 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06038 195.0
[M+Na]+ 201.04232 200.1
[M+NH4]+ 196.08692 193.6
[M+K]+ 217.01626 190.5
[M-H]- 177.04582 185.6
[M+Na-2H]- 199.02777 191.5
[M]+ 178.05255 192.0
[M]- 178.05365 192.0
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.