CID 3910703

4-bromo-n-(furan-2-ylmethyl)benzenesulfonamide

Structural Information

Molecular Formula
C11H10BrNO3S
SMILES
C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H10BrNO3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8H2
InChIKey
NGVHZPNNKXJGFK-UHFFFAOYSA-N
Compound name
4-bromo-N-(furan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.95648 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.963756 155.0
[M+Na]+ 337.945698 167.4
[M-H]- 313.949204 165.6
[M+NH4]+ 332.990303 174.2
[M+K]+ 353.919638 156.5
[M+H-H2O]+ 297.953740 155.1
[M+HCOO]- 359.954681 173.6
[M+CH3COO]- 373.970331 197.1
[M+Na-2H]- 335.931146 162.1
[M]+ 314.95593142 177.2
[M]- 314.95702858 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.