CID 5061163

303091-34-1

Structural Information

Molecular Formula
C14H10BrCl2NOS
SMILES
C1=CC(=CC=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C14H10BrCl2NOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-10-3-6-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKey
UJHCLLYFEQVCCT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.90436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.91164 164.3
[M+Na]+ 411.89358 177.4
[M-H]- 387.89708 173.4
[M+NH4]+ 406.93818 181.9
[M+K]+ 427.86752 161.6
[M+H-H2O]+ 371.90162 165.1
[M+HCOO]- 433.90256 172.7
[M+CH3COO]- 447.91821 211.6
[M+Na-2H]- 409.87903 167.8
[M]+ 388.90381 187.5
[M]- 388.90491 187.5
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.