CID 3688333

5-bromo-2-ethoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8BrClO3S
SMILES
CCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C8H8BrClO3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3
InChIKey
QVECNSRYIWTUJL-UHFFFAOYSA-N
Compound name
5-bromo-2-ethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

297.90662 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.913896 141.7
[M+Na]+ 320.895838 156.3
[M-H]- 296.899344 149.2
[M+NH4]+ 315.940443 162.8
[M+K]+ 336.869778 143.4
[M+H-H2O]+ 280.903880 143.5
[M+HCOO]- 342.904821 154.4
[M+CH3COO]- 356.920471 192.8
[M+Na-2H]- 318.881286 148.3
[M]+ 297.90607142 166.7
[M]- 297.90716858 166.7
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