CID 6450825

Triarathene

Structural Information

Molecular Formula
C22H15ClS
SMILES
C1=CC=C(C=C1)C2=C(SC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H15ClS/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22(24-21)18-9-5-2-6-10-18/h1-15H
InChIKey
JWXZLCFGVKMEEK-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2,3-diphenylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9425
Patents

346.0583 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06558 181.7
[M+Na]+ 369.04752 192.2
[M-H]- 345.05102 195.1
[M+NH4]+ 364.09212 198.1
[M+K]+ 385.02146 183.3
[M+H-H2O]+ 329.05556 173.9
[M+HCOO]- 391.05650 197.6
[M+CH3COO]- 405.07215 193.8
[M+Na-2H]- 367.03297 181.8
[M]+ 346.05775 185.1
[M]- 346.05885 185.1
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