CID 45156417

1048921-25-0

Structural Information

Molecular Formula

C₉H₁₀BrClO₃S

SMILES

CCCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl

InChI

InChI=1S/C9H10BrClO3S/c1-2-5-14-8-4-3-7(10)6-9(8)15(11,12)13/h3-4,6H,2,5H2,1H3

InChIKey

RGCZSGFZDFOXHT-UHFFFAOYSA-N

Compound name

5-bromo-2-propoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 311.92227 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.92955	146.7
[M+Na]+	334.91149	150.5
[M+NH4]+	329.95609	151.3
[M+K]+	350.88543	149.2
[M-H]-	310.91499	146.3
[M+Na-2H]-	332.89694	149.9
[M]+	311.92172	146.7
[M]-	311.92282	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe