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: 5
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	129.0
[M+Na]+	180.96966	139.6
[M+NH4]+	176.01426	136.9
[M+K]+	196.94360	133.0
[M-H]-	156.97316	127.3
[M+Na-2H]-	178.95511	132.1
[M]+	157.97989	130.6
[M]-	157.98099	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe