CID 137531

1,1,1,2-tetraphenylethane

Structural Information

Molecular Formula
C26H22
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H22/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKey
KGSFMPRFQVLGTJ-UHFFFAOYSA-N
Compound name
1,1,2-triphenylethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8745
Patents

334.17215 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17943 183.2
[M+Na]+ 357.16137 187.5
[M-H]- 333.16487 194.2
[M+NH4]+ 352.20597 194.9
[M+K]+ 373.13531 179.9
[M+H-H2O]+ 317.16941 172.4
[M+HCOO]- 379.17035 203.9
[M+CH3COO]- 393.18600 192.8
[M+Na-2H]- 355.14682 189.8
[M]+ 334.17160 179.9
[M]- 334.17270 179.9
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