CID 4097298

N-(4-bromo-3-methylphenyl)-2-[(4-bromophenyl)sulfanyl]acetamide

Structural Information

Molecular Formula
C15H13Br2NOS
SMILES
CC1=C(C=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C15H13Br2NOS/c1-10-8-12(4-7-14(10)17)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKey
GDJLZDMWHBFOBC-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.90845 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.91573 152.4
[M+Na]+ 435.89767 148.3
[M+NH4]+ 430.94227 154.8
[M+K]+ 451.87161 153.3
[M-H]- 411.90117 155.0
[M+Na-2H]- 433.88312 155.9
[M]+ 412.90790 151.8
[M]- 412.90900 151.8
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.