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 163.6
[M+Na]+ 375.97775 174.9
[M-H]- 351.98125 171.7
[M+NH4]+ 371.02235 181.0
[M+K]+ 391.95169 161.1
[M+H-H2O]+ 335.98579 161.5
[M+HCOO]- 397.98673 179.6
[M+CH3COO]- 412.00238 209.6
[M+Na-2H]- 373.96320 166.6
[M]+ 352.98798 183.2
[M]- 352.98908 183.2
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.