CID 350246

1,2,3,4-tetraphenylbenzene

Structural Information

Molecular Formula
C30H22
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H22/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(27)25-17-9-3-10-18-25/h1-22H
InChIKey
MAGZFRRCWFGSHK-UHFFFAOYSA-N
Compound name
1,2,3,4-tetraphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1068
Patents

382.17215 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17943 197.8
[M+Na]+ 405.16137 203.7
[M-H]- 381.16487 212.0
[M+NH4]+ 400.20597 207.4
[M+K]+ 421.13531 194.6
[M+H-H2O]+ 365.16941 185.1
[M+HCOO]- 427.17035 219.3
[M+CH3COO]- 441.18600 207.0
[M+Na-2H]- 403.14682 201.3
[M]+ 382.17160 194.3
[M]- 382.17270 194.3
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