CID 51559

2,2-diphenylethylidenemalononitrile

Structural Information

Molecular Formula
C17H12N2
SMILES
C1=CC=C(C=C1)C(C=C(C#N)C#N)C2=CC=CC=C2
InChI
InChI=1S/C17H12N2/c18-12-14(13-19)11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,17H
InChIKey
AJWQSBAALRXGHX-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.10005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10733 174.8
[M+Na]+ 267.08927 183.8
[M-H]- 243.09277 178.6
[M+NH4]+ 262.13387 185.4
[M+K]+ 283.06321 176.2
[M+H-H2O]+ 227.09731 158.3
[M+HCOO]- 289.09825 185.7
[M+CH3COO]- 303.11390 222.1
[M+Na-2H]- 265.07472 175.0
[M]+ 244.09950 164.9
[M]- 244.10060 164.9
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