CID 3086614

1,3-bis(1-(methylphenyl)ethenyl)benzene

Structural Information

Molecular Formula
C24H22
SMILES
CC1=CC=CC=C1C(=C)C2=CC(=CC=C2)C(=C)C3=CC=CC=C3C
InChI
InChI=1S/C24H22/c1-17-10-5-7-14-23(17)19(3)21-12-9-13-22(16-21)20(4)24-15-8-6-11-18(24)2/h5-16H,3-4H2,1-2H3
InChIKey
BPOKXOUKXFUPBU-UHFFFAOYSA-N
Compound name
1,3-bis[1-(2-methylphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

310.17215 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.179426 175.9
[M+Na]+ 333.161368 182.2
[M-H]- 309.164874 185.2
[M+NH4]+ 328.205973 190.1
[M+K]+ 349.135308 175.2
[M+H-H2O]+ 293.169410 166.8
[M+HCOO]- 355.170351 196.4
[M+CH3COO]- 369.186001 211.4
[M+Na-2H]- 331.146816 176.4
[M]+ 310.17160142 174.2
[M]- 310.17269858 174.2
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