CID 616047

2,5-dimethyl-7,7,8,8-tetracyanoquinodimethane

Structural Information

Molecular Formula
C14H8N4
SMILES
CC1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)C
InChI
InChI=1S/C14H8N4/c1-9-3-14(12(7-17)8-18)10(2)4-13(9)11(5-15)6-16/h3-4H,1-2H3
InChIKey
DFJXWQJAMNCPII-UHFFFAOYSA-N
Compound name
2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

449
Patents

232.07489 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.082166 168.1
[M+Na]+ 255.064108 173.2
[M-H]- 231.067614 171.9
[M+NH4]+ 250.108713 171.8
[M+K]+ 271.038048 170.7
[M+H-H2O]+ 215.072150 159.9
[M+HCOO]- 277.073091 169.4
[M+CH3COO]- 291.088741 247.6
[M+Na-2H]- 253.049556 164.7
[M]+ 232.07434142 162.6
[M]- 232.07543858 162.6
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