CID 131213144

1936729-45-1

Structural Information

Molecular Formula

C₄H₆ClFO₄S

SMILES

CCOC(=O)C(F)S(=O)(=O)Cl

InChI

InChI=1S/C4H6ClFO4S/c1-2-10-4(7)3(6)11(5,8)9/h3H,2H2,1H3

InChIKey

WNTNRSISUKPNMS-UHFFFAOYSA-N

Compound name

ethyl 2-chlorosulfonyl-2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.96594 Da
Monoisotopic Mass: 1.2
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]+	204.97322	131.6
[M+Na]+	226.95516	140.7
[M-H]-	202.95866	131.6
[M+NH4]+	221.99976	151.9
[M+K]+	242.92910	138.8
[M+H-H2O]+	186.96320	127.7
[M+HCOO]-	248.96414	143.2
[M+CH3COO]-	262.97979	178.2
[M+Na-2H]-	224.94061	134.3
[M]+	203.96539	136.7
[M]-	203.96649	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.