CID 18372257

Schembl6983172

Structural Information

Molecular Formula

C₄H₈BrClO₂S

SMILES

C(CCBr)CS(=O)(=O)Cl

InChI

InChI=1S/C4H8BrClO2S/c5-3-1-2-4-9(6,7)8/h1-4H2

InChIKey

ASZCXEVXMGCGRE-UHFFFAOYSA-N

Compound name

4-bromobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 233.9117 Da
Monoisotopic Mass: 1.9
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]+	234.91898	129.4
[M+Na]+	256.90092	143.1
[M-H]-	232.90442	133.5
[M+NH4]+	251.94552	152.6
[M+K]+	272.87486	130.3
[M+H-H2O]+	216.90896	131.9
[M+HCOO]-	278.90990	141.5
[M+CH3COO]-	292.92555	182.1
[M+Na-2H]-	254.88637	136.3
[M]+	233.91115	152.8
[M]-	233.91225	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe