CID 120388

830-41-1

Structural Information

Molecular Formula
C9H10BrNO2S
SMILES
C=CCNS(=O)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H10BrNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h2-6,11H,1,7H2
InChIKey
ZJJKFCZKLGCVNS-UHFFFAOYSA-N
Compound name
4-bromo-N-prop-2-enylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.96155 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96883 142.0
[M+Na]+ 297.95077 153.9
[M-H]- 273.95427 148.6
[M+NH4]+ 292.99537 162.2
[M+K]+ 313.92471 140.9
[M+H-H2O]+ 257.95881 141.8
[M+HCOO]- 319.95975 159.4
[M+CH3COO]- 333.97540 192.8
[M+Na-2H]- 295.93622 149.0
[M]+ 274.96100 162.3
[M]- 274.96210 162.3
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.