CID 53601891

N-{2-[(3-bromophenyl)sulfanyl]ethyl}methanesulfonamide

Structural Information

Molecular Formula
C9H12BrNO2S2
SMILES
CS(=O)(=O)NCCSC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H12BrNO2S2/c1-15(12,13)11-5-6-14-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3
InChIKey
BOKUQIUNVXEZHH-UHFFFAOYSA-N
Compound name
N-[2-(3-bromophenyl)sulfanylethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.94928 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.95656 142.2
[M+Na]+ 331.93850 154.0
[M-H]- 307.94200 148.3
[M+NH4]+ 326.98310 161.4
[M+K]+ 347.91244 139.9
[M+H-H2O]+ 291.94654 141.9
[M+HCOO]- 353.94748 154.2
[M+CH3COO]- 367.96313 197.9
[M+Na-2H]- 329.92395 148.2
[M]+ 308.94873 163.6
[M]- 308.94983 163.6
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.