CID 28422

17239-70-2

Structural Information

Molecular Formula
C14H6N4
SMILES
C1=CC(=CC(=C1)C=C(C#N)C#N)C=C(C#N)C#N
InChI
InChI=1S/C14H6N4/c15-7-13(8-16)5-11-2-1-3-12(4-11)6-14(9-17)10-18/h1-6H
InChIKey
PFCGCDSJVMFOLS-UHFFFAOYSA-N
Compound name
2-[[3-(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.05925 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06653 168.5
[M+Na]+ 253.04847 173.4
[M-H]- 229.05197 172.1
[M+NH4]+ 248.09307 172.0
[M+K]+ 269.02241 170.6
[M+H-H2O]+ 213.05651 160.0
[M+HCOO]- 275.05745 169.7
[M+CH3COO]- 289.07310 247.2
[M+Na-2H]- 251.03392 165.2
[M]+ 230.05870 162.8
[M]- 230.05980 162.8
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