CID 11435213

56146-83-9

Structural Information

Molecular Formula

C₃H₅ClO₄S

SMILES

COC(=O)CS(=O)(=O)Cl

InChI

InChI=1S/C3H5ClO4S/c1-8-3(5)2-9(4,6)7/h2H2,1H3

InChIKey

YBIPZPBGAGTBGK-UHFFFAOYSA-N

Compound name

methyl 2-chlorosulfonylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 825
Patents: 171.9597 Da
Monoisotopic Mass: 0.3
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]+	172.96698	126.3
[M+Na]+	194.94892	136.1
[M-H]-	170.95242	127.8
[M+NH4]+	189.99352	148.0
[M+K]+	210.92286	134.4
[M+H-H2O]+	154.95696	123.5
[M+HCOO]-	216.95790	140.2
[M+CH3COO]-	230.97355	171.7
[M+Na-2H]-	192.93437	130.9
[M]+	171.95915	132.7
[M]-	171.96025	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe