CID 25299

3,4-dioxo-2,5-diphenylhexanedinitrile

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C(C=C1)C(C#N)C(=O)C(=O)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C18H12N2O2/c19-11-15(13-7-3-1-4-8-13)17(21)18(22)16(12-20)14-9-5-2-6-10-14/h1-10,15-16H
InChIKey
WGUBEMUTFOZPGM-UHFFFAOYSA-N
Compound name
3,4-dioxo-2,5-diphenylhexanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 189.6
[M+Na]+ 311.07909 198.1
[M+NH4]+ 306.12369 189.5
[M+K]+ 327.05303 187.3
[M-H]- 287.08259 180.3
[M+Na-2H]- 309.06454 189.2
[M]+ 288.08932 186.9
[M]- 288.09042 186.9
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