CID 12635

Tetracyanoethylene

Structural Information

Molecular Formula
C6N4
SMILES
C(#N)C(=C(C#N)C#N)C#N
InChI
InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10
InChIKey
NLDYACGHTUPAQU-UHFFFAOYSA-N
Compound name
ethene-1,1,2,2-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

192
References

17577
Patents

128.0123 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01958 199.9
[M+Na]+ 151.00152 201.7
[M+NH4]+ 146.04612 198.3
[M+K]+ 166.97546 195.9
[M-H]- 127.00502 194.0
[M+Na-2H]- 148.98697 195.9
[M]+ 128.01175 197.9
[M]- 128.01285 197.9
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