CID 136454

1,1,2,2-tetraphenylethane

Structural Information

Molecular Formula
C26H22
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H22/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKey
RUGHUJBHQWALKM-UHFFFAOYSA-N
Compound name
1,2,2-triphenylethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

941
Patents

334.17215 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17943 183.2
[M+Na]+ 357.16137 186.3
[M-H]- 333.16487 194.0
[M+NH4]+ 352.20597 194.6
[M+K]+ 373.13531 179.3
[M+H-H2O]+ 317.16941 172.3
[M+HCOO]- 379.17035 203.5
[M+CH3COO]- 393.18600 192.4
[M+Na-2H]- 355.14682 187.0
[M]+ 334.17160 179.2
[M]- 334.17270 179.2
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