CID 275291

Nsc122000

Structural Information

Molecular Formula
C9H11Br2NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC(CBr)CBr
InChI
InChI=1S/C9H11Br2NO2S/c10-6-8(7-11)12-15(13,14)9-4-2-1-3-5-9/h1-5,8,12H,6-7H2
InChIKey
NHBLGVSFLDKVNK-UHFFFAOYSA-N
Compound name
N-(1,3-dibromopropan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.88773 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.89501 142.3
[M+Na]+ 377.87695 152.3
[M-H]- 353.88045 148.8
[M+NH4]+ 372.92155 159.7
[M+K]+ 393.85089 135.5
[M+H-H2O]+ 337.88499 149.6
[M+HCOO]- 399.88593 154.2
[M+CH3COO]- 413.90158 209.1
[M+Na-2H]- 375.86240 149.2
[M]+ 354.88718 177.4
[M]- 354.88828 177.4
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.