CID 376971

Nsc658171

Structural Information

Molecular Formula
C20H12Cl2OS
SMILES
C1=CC=C2C(=C1)C(=O)SC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H12Cl2OS/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12H
InChIKey
VDZCDZUDQDPSNH-UHFFFAOYSA-N
Compound name
3,3-bis(4-chlorophenyl)-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.9986 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.00588 184.1
[M+Na]+ 392.98782 196.4
[M-H]- 368.99132 195.0
[M+NH4]+ 388.03242 203.3
[M+K]+ 408.96176 187.6
[M+H-H2O]+ 352.99586 178.1
[M+HCOO]- 414.99680 193.0
[M+CH3COO]- 429.01245 196.0
[M+Na-2H]- 390.97327 184.9
[M]+ 369.99805 189.6
[M]- 369.99915 189.6
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

No patent data available for this compound.