CID 131583774

2092808-82-5

Structural Information

Molecular Formula

C₈H₈BrClO₄S

SMILES

COCOC1=C(C=CC(=C1)Br)S(=O)(=O)Cl

InChI

InChI=1S/C8H8BrClO4S/c1-13-5-14-7-4-6(9)2-3-8(7)15(10,11)12/h2-4H,5H2,1H3

InChIKey

STAOGDKBQGXOBW-UHFFFAOYSA-N

Compound name

4-bromo-2-(methoxymethoxy)benzenesulfonyl 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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.908796	144.3
[M+Na]+	336.890738	158.6
[M-H]-	312.894244	151.7
[M+NH4]+	331.935343	164.6
[M+K]+	352.864678	146.2
[M+H-H2O]+	296.898780	145.8
[M+HCOO]-	358.899721	157.2
[M+CH3COO]-	372.915371	194.7
[M+Na-2H]-	334.876186	151.1
[M]+	313.90097142	170.5
[M]-	313.90206858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.