CID 9356114

Oprea1_189207

Structural Information

Molecular Formula
C9H8BrNO2S
SMILES
C#CCNS(=O)(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C9H8BrNO2S/c1-2-7-11-14(12,13)9-6-4-3-5-8(9)10/h1,3-6,11H,7H2
InChIKey
PRCUXORGVNUPPZ-UHFFFAOYSA-N
Compound name
2-bromo-N-prop-2-ynylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.