CID 3533591

2,3-dibenzyl-1,3-butadiene

Structural Information

Molecular Formula
C18H18
SMILES
C=C(CC1=CC=CC=C1)C(=C)CC2=CC=CC=C2
InChI
InChI=1S/C18H18/c1-15(13-17-9-5-3-6-10-17)16(2)14-18-11-7-4-8-12-18/h3-12H,1-2,13-14H2
InChIKey
FNCJMHZWHWRYEO-UHFFFAOYSA-N
Compound name
(3-benzyl-2-methylidenebut-3-enyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

234.14085 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14813 156.0
[M+Na]+ 257.13007 160.9
[M-H]- 233.13357 161.8
[M+NH4]+ 252.17467 173.1
[M+K]+ 273.10401 155.8
[M+H-H2O]+ 217.13811 148.4
[M+HCOO]- 279.13905 177.4
[M+CH3COO]- 293.15470 194.2
[M+Na-2H]- 255.11552 159.5
[M]+ 234.14030 153.8
[M]- 234.14140 153.8
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