CID 786808

2450-55-7

Structural Information

Molecular Formula
C16H10N2
SMILES
C1=CC=C(C=C1)/C(=C(\C#N)/C2=CC=CC=C2)/C#N
InChI
InChI=1S/C16H10N2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10H/b16-15+
InChIKey
VFBJMPNFKOMEEW-FOCLMDBBSA-N
Compound name
(E)-2,3-diphenylbut-2-enedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

230.0844 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09168 172.1
[M+Na]+ 253.07362 181.4
[M-H]- 229.07712 176.0
[M+NH4]+ 248.11822 183.1
[M+K]+ 269.04756 174.0
[M+H-H2O]+ 213.08166 155.8
[M+HCOO]- 275.08260 183.3
[M+CH3COO]- 289.09825 178.3
[M+Na-2H]- 251.05907 172.7
[M]+ 230.08385 162.0
[M]- 230.08495 162.0
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