CID 980077

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

Structural Information

Molecular Formula
C15H13BrFNOS
SMILES
CC1=C(C=CC(=C1)NC(=O)CSC2=CC=C(C=C2)F)Br
InChI
InChI=1S/C15H13BrFNOS/c1-10-8-12(4-7-14(10)16)18-15(19)9-20-13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKey
FABRADWEAVOJJA-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.98853 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.99581 160.1
[M+Na]+ 375.97775 163.8
[M+NH4]+ 371.02235 164.9
[M+K]+ 391.95169 161.1
[M-H]- 351.98125 162.3
[M+Na-2H]- 373.96320 165.1
[M]+ 352.98798 160.6
[M]- 352.98908 160.6
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.