CID 5378172

Nsc157363

Structural Information

Molecular Formula
C22H18
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)/C=C\C3=CC=CC=C3
InChI
InChI=1S/C22H18/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-18H/b13-11-,14-12+
InChIKey
IJAAWBHHXIWAHM-HEEUSZRZSA-N
Compound name
1-[(Z)-2-phenylethenyl]-4-[(E)-2-phenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14084 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14812 168.6
[M+Na]+ 305.13006 174.8
[M-H]- 281.13356 177.4
[M+NH4]+ 300.17466 183.6
[M+K]+ 321.10400 167.0
[M+H-H2O]+ 265.13810 159.4
[M+HCOO]- 327.13904 191.8
[M+CH3COO]- 341.15469 179.7
[M+Na-2H]- 303.11551 173.9
[M]+ 282.14029 166.3
[M]- 282.14139 166.3
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

No patent data available for this compound.