CID 94347

1,4-bis(2-methylstyryl)benzene

Structural Information

Molecular Formula
C24H22
SMILES
CC1=CC=CC=C1C=CC2=CC=C(C=C2)C=CC3=CC=CC=C3C
InChI
InChI=1S/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3
InChIKey
QKLPIYTUUFFRLV-UHFFFAOYSA-N
Compound name
1,4-bis[2-(2-methylphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1769
Patents

310.17215 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17943 177.1
[M+Na]+ 333.16137 184.3
[M-H]- 309.16487 186.4
[M+NH4]+ 328.20597 191.7
[M+K]+ 349.13531 176.2
[M+H-H2O]+ 293.16941 167.8
[M+HCOO]- 355.17035 199.7
[M+CH3COO]- 369.18600 188.2
[M+Na-2H]- 331.14682 179.9
[M]+ 310.17160 176.4
[M]- 310.17270 176.4
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