CID 62104374

5-bromo-2-(2-ethoxyethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H12BrClO4S
SMILES
CCOCCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C10H12BrClO4S/c1-2-15-5-6-16-9-4-3-8(11)7-10(9)17(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKey
HNOISOIMHSYWOJ-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.93283 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.94011 153.3
[M+Na]+ 364.92205 166.8
[M-H]- 340.92555 160.4
[M+NH4]+ 359.96665 172.6
[M+K]+ 380.89599 153.9
[M+H-H2O]+ 324.93009 154.5
[M+HCOO]- 386.93103 165.6
[M+CH3COO]- 400.94668 200.3
[M+Na-2H]- 362.90750 159.1
[M]+ 341.93228 180.2
[M]- 341.93338 180.2
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.