CID 9356084

4-bromo-n-(prop-2-yn-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H8BrNO2S
SMILES
C#CCNS(=O)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H8BrNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h1,3-6,11H,7H2
InChIKey
AYNNGEFJIDKPQN-UHFFFAOYSA-N
Compound name
4-bromo-N-prop-2-ynylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.94592 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.95320 148.1
[M+Na]+ 295.93514 162.2
[M-H]- 271.93864 152.4
[M+NH4]+ 290.97974 166.2
[M+K]+ 311.90908 149.5
[M+H-H2O]+ 255.94318 142.0
[M+HCOO]- 317.94412 162.3
[M+CH3COO]- 331.95977 199.0
[M+Na-2H]- 293.92059 153.5
[M]+ 272.94537 161.3
[M]- 272.94647 161.3
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

patents stripe