CID 43154920

3-bromo-4-ethoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8BrClO3S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C8H8BrClO3S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2H2,1H3
InChIKey
FKYSPRCRSDOCJL-UHFFFAOYSA-N
Compound name
3-bromo-4-ethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

297.90662 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.91390 141.7
[M+Na]+ 320.89584 156.3
[M-H]- 296.89934 149.2
[M+NH4]+ 315.94044 162.8
[M+K]+ 336.86978 143.4
[M+H-H2O]+ 280.90388 143.5
[M+HCOO]- 342.90482 154.4
[M+CH3COO]- 356.92047 192.8
[M+Na-2H]- 318.88129 148.3
[M]+ 297.90607 166.7
[M]- 297.90717 166.7
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