CID 78926

1,1,1-triphenylethane

Structural Information

Molecular Formula
C20H18
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKey
QIDUHGHFWAMMPV-UHFFFAOYSA-N
Compound name
1,1-diphenylethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

25806
Patents

258.14084 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.148116 161.1
[M+Na]+ 281.130058 167.0
[M-H]- 257.133564 170.1
[M+NH4]+ 276.174663 177.0
[M+K]+ 297.103998 161.3
[M+H-H2O]+ 241.138100 152.6
[M+HCOO]- 303.139041 183.1
[M+CH3COO]- 317.154691 172.9
[M+Na-2H]- 279.115506 169.0
[M]+ 258.14029142 158.9
[M]- 258.14138858 158.9
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