CID 138704

11,11,12,12-tetracyanonaphtho-2,6-quinodimethane

Structural Information

Molecular Formula
C16H6N4
SMILES
C1=CC(=C(C#N)C#N)C=C2C1=CC(=C(C#N)C#N)C=C2
InChI
InChI=1S/C16H6N4/c17-7-15(8-18)13-3-1-11-5-14(16(9-19)10-20)4-2-12(11)6-13/h1-6H
InChIKey
JLTPSDHKZGWXTD-UHFFFAOYSA-N
Compound name
2-[6-(dicyanomethylidene)naphthalen-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2667
Patents

254.05925 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06653 171.9
[M+Na]+ 277.04847 177.5
[M-H]- 253.05197 175.4
[M+NH4]+ 272.09307 175.5
[M+K]+ 293.02241 173.1
[M+H-H2O]+ 237.05651 163.6
[M+HCOO]- 299.05745 172.9
[M+CH3COO]- 313.07310 172.2
[M+Na-2H]- 275.03392 168.6
[M]+ 254.05870 166.1
[M]- 254.05980 166.1
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