CID 4079644

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.90845 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.91573 155.0
[M+Na]+ 435.89767 165.2
[M-H]- 411.90117 164.1
[M+NH4]+ 430.94227 171.0
[M+K]+ 451.87161 148.0
[M+H-H2O]+ 395.90571 162.0
[M+HCOO]- 457.90665 167.5
[M+CH3COO]- 471.92230 220.2
[M+Na-2H]- 433.88312 159.4
[M]+ 412.90790 190.6
[M]- 412.90900 190.6
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.