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]+ 342.940106 153.3
[M+Na]+ 364.922048 166.8
[M-H]- 340.925554 160.4
[M+NH4]+ 359.966653 172.6
[M+K]+ 380.895988 153.9
[M+H-H2O]+ 324.930090 154.5
[M+HCOO]- 386.931031 165.6
[M+CH3COO]- 400.946681 200.3
[M+Na-2H]- 362.907496 159.1
[M]+ 341.93228142 180.2
[M]- 341.93337858 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.