CID 62105487

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

Structural Information

Molecular Formula
C9H10BrClO4S
SMILES
COCCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C9H10BrClO4S/c1-14-4-5-15-8-3-2-7(10)6-9(8)16(11,12)13/h2-3,6H,4-5H2,1H3
InChIKey
RDEKFBRAXHKEEV-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-methoxyethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.91718 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.92446 148.8
[M+Na]+ 350.90640 162.7
[M-H]- 326.90990 156.1
[M+NH4]+ 345.95100 168.6
[M+K]+ 366.88034 150.1
[M+H-H2O]+ 310.91444 150.2
[M+HCOO]- 372.91538 161.4
[M+CH3COO]- 386.93103 197.5
[M+Na-2H]- 348.89185 155.1
[M]+ 327.91663 175.4
[M]- 327.91773 175.4
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.