CID 137054

1,1,2-triphenylethane

Structural Information

Molecular Formula
C20H18
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKey
KIIBETRYVBIAOO-UHFFFAOYSA-N
Compound name
1,2-diphenylethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1107
Patents

258.14084 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14812 161.3
[M+Na]+ 281.13006 166.4
[M-H]- 257.13356 170.1
[M+NH4]+ 276.17466 176.9
[M+K]+ 297.10400 160.7
[M+H-H2O]+ 241.13810 152.4
[M+HCOO]- 303.13904 183.9
[M+CH3COO]- 317.15469 172.7
[M+Na-2H]- 279.11551 167.4
[M]+ 258.14029 159.0
[M]- 258.14139 159.0
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