CID 12383277

1-(2,2-diphenylvinyl)-4-methylbenzene

Structural Information

Molecular Formula
C21H18
SMILES
CC1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18/c1-17-12-14-18(15-13-17)16-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3
InChIKey
WVEQCCXSLKFNNN-UHFFFAOYSA-N
Compound name
1-(2,2-diphenylethenyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

270.14084 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14812 164.9
[M+Na]+ 293.13006 170.8
[M-H]- 269.13356 173.9
[M+NH4]+ 288.17466 180.4
[M+K]+ 309.10400 164.4
[M+H-H2O]+ 253.13810 156.0
[M+HCOO]- 315.13904 187.3
[M+CH3COO]- 329.15469 176.3
[M+Na-2H]- 291.11551 169.6
[M]+ 270.14029 162.5
[M]- 270.14139 162.5
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