CID 3605514

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

Structural Information

Molecular Formula
C14H11Br2NOS
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C14H11Br2NOS/c15-10-5-7-11(8-6-10)19-9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18)
InChIKey
RHVVDNTVVULDBT-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.89282 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.90010 151.4
[M+Na]+ 421.88204 161.3
[M-H]- 397.88554 160.4
[M+NH4]+ 416.92664 167.6
[M+K]+ 437.85598 144.4
[M+H-H2O]+ 381.89008 158.6
[M+HCOO]- 443.89102 164.2
[M+CH3COO]- 457.90667 217.0
[M+Na-2H]- 419.86749 156.8
[M]+ 398.89227 186.5
[M]- 398.89337 186.5
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.