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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.90880 144.3
[M+Na]+ 336.89074 158.6
[M-H]- 312.89424 151.7
[M+NH4]+ 331.93534 164.6
[M+K]+ 352.86468 146.2
[M+H-H2O]+ 296.89878 145.8
[M+HCOO]- 358.89972 157.2
[M+CH3COO]- 372.91537 194.7
[M+Na-2H]- 334.87619 151.1
[M]+ 313.90097 170.5
[M]- 313.90207 170.5
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.