CID 6474169

P-bromo-n-(1-methyl-propenyl)benzene-sulfonamide

Structural Information

Molecular Formula
C10H12BrNO2S
SMILES
C/C=C(/C)\NS(=O)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H12BrNO2S/c1-3-8(2)12-15(13,14)10-6-4-9(11)5-7-10/h3-7,12H,1-2H3/b8-3-
InChIKey
JBPQYQXUHWVJEV-BAQGIRSFSA-N
Compound name
4-bromo-N-[(Z)-but-2-en-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9772 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.98448 146.9
[M+Na]+ 311.96642 158.2
[M-H]- 287.96992 153.3
[M+NH4]+ 307.01102 166.6
[M+K]+ 327.94036 145.4
[M+H-H2O]+ 271.97446 146.6
[M+HCOO]- 333.97540 163.0
[M+CH3COO]- 347.99105 195.7
[M+Na-2H]- 309.95187 152.4
[M]+ 288.97665 166.9
[M]- 288.97775 166.9
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.