CID 50876026

4-bromo-3-methoxybenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H6BrClO3S
SMILES
COC1=C(C=CC(=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H6BrClO3S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4H,1H3
InChIKey
APCCBOUSWYTPJQ-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

283.89096 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.898236 137.1
[M+Na]+ 306.880178 152.2
[M-H]- 282.883684 144.8
[M+NH4]+ 301.924783 158.8
[M+K]+ 322.854118 139.5
[M+H-H2O]+ 266.888220 139.2
[M+HCOO]- 328.889161 150.2
[M+CH3COO]- 342.904811 190.0
[M+Na-2H]- 304.865626 144.3
[M]+ 283.89041142 161.8
[M]- 283.89150858 161.8
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

patents stripe