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
6
Annotation Hits

192
References

18759
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 159.7
[M+Na]+ 151.00152 164.3
[M-H]- 127.00502 163.5
[M+NH4]+ 146.04612 164.0
[M+K]+ 166.97546 163.3
[M+H-H2O]+ 111.00956 151.6
[M+HCOO]- 173.01050 161.2
[M+CH3COO]- 187.02615 244.1
[M+Na-2H]- 148.98697 157.3
[M]+ 128.01175 154.3
[M]- 128.01285 154.3
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