CID 3360610

1,3-bis(dicyanomethylidene)indan

Structural Information

Molecular Formula
C15H6N4
SMILES
C1C(=C(C#N)C#N)C2=CC=CC=C2C1=C(C#N)C#N
InChI
InChI=1S/C15H6N4/c16-6-10(7-17)14-5-15(11(8-18)9-19)13-4-2-1-3-12(13)14/h1-4H,5H2
InChIKey
HBZYYOYCJQHAEL-UHFFFAOYSA-N
Compound name
2-[3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

472
Patents

242.05925 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06653 171.1
[M+Na]+ 265.04847 176.8
[M-H]- 241.05197 174.7
[M+NH4]+ 260.09307 175.1
[M+K]+ 281.02241 172.2
[M+H-H2O]+ 225.05651 162.7
[M+HCOO]- 287.05745 172.1
[M+CH3COO]- 301.07310 171.5
[M+Na-2H]- 263.03392 167.5
[M]+ 242.05870 165.3
[M]- 242.05980 165.3
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