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

607
Patents

232.07489 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08217 168.1
[M+Na]+ 255.06411 173.2
[M-H]- 231.06761 171.9
[M+NH4]+ 250.10871 171.8
[M+K]+ 271.03805 170.7
[M+H-H2O]+ 215.07215 159.9
[M+HCOO]- 277.07309 169.4
[M+CH3COO]- 291.08874 247.6
[M+Na-2H]- 253.04956 164.7
[M]+ 232.07434 162.6
[M]- 232.07544 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