CID 69960

819-52-3

Structural Information

Molecular Formula

C₃H₇ClO₃S

SMILES

CCCOS(=O)(=O)Cl

InChI

InChI=1S/C3H7ClO3S/c1-2-3-7-8(4,5)6/h2-3H2,1H3

InChIKey

BUSLFAYJGWMERD-UHFFFAOYSA-N

Compound name

1-chlorosulfonyloxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 157.98044 Da
Monoisotopic Mass: 1.3
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]+	158.98772	125.0
[M+Na]+	180.96966	134.8
[M-H]-	156.97316	126.3
[M+NH4]+	176.01426	147.4
[M+K]+	196.94360	132.8
[M+H-H2O]+	140.97770	122.1
[M+HCOO]-	202.97864	139.4
[M+CH3COO]-	216.99429	170.5
[M+Na-2H]-	178.95511	130.3
[M]+	157.97989	131.2
[M]-	157.98099	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe