CID 50876050

4-bromo-2,5-dimethoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8BrClO4S
SMILES
COC1=CC(=C(C=C1Br)OC)S(=O)(=O)Cl
InChI
InChI=1S/C8H8BrClO4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,1-2H3
InChIKey
SECOFIXVDWSDJB-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.90152 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.908796 143.4
[M+Na]+ 336.890738 158.4
[M-H]- 312.894244 151.1
[M+NH4]+ 331.935343 164.0
[M+K]+ 352.864678 146.0
[M+H-H2O]+ 296.898780 145.1
[M+HCOO]- 358.899721 156.2
[M+CH3COO]- 372.915371 195.9
[M+Na-2H]- 334.876186 149.6
[M]+ 313.90097142 170.0
[M]- 313.90206858 170.0
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.