CID 6025

Triphenylethylene

Structural Information

Molecular Formula
C20H16
SMILES
C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKey
MKYQPGPNVYRMHI-UHFFFAOYSA-N
Compound name
1,2-diphenylethenylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

131
References

7806
Patents

256.1252 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.132476 160.6
[M+Na]+ 279.114418 166.0
[M-H]- 255.117924 169.4
[M+NH4]+ 274.159023 176.3
[M+K]+ 295.088358 159.7
[M+H-H2O]+ 239.122460 151.7
[M+HCOO]- 301.123401 183.3
[M+CH3COO]- 315.139051 172.0
[M+Na-2H]- 277.099866 166.6
[M]+ 256.12465142 157.4
[M]- 256.12574858 157.4
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