CID 633388

(1,2',1',1'',3'',1''',2''',1'''')quinquephenyl

Structural Information

Molecular Formula
C30H22
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=CC=C3)C4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C30H22/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)25-16-11-17-26(22-25)30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22H
InChIKey
PJHQBYBCLZCZNF-UHFFFAOYSA-N
Compound name
1,3-bis(2-phenylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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

No literature data available for this compound.

Patent stripe

patents stripe