CID 55279679

39220-53-6

Structural Information

Molecular Formula

C₄H₇ClO₃S

SMILES

COCC(=C)S(=O)(=O)Cl

InChI

InChI=1S/C4H7ClO3S/c1-4(3-8-2)9(5,6)7/h1,3H2,2H3

InChIKey

YCWMWYUSTMEMTQ-UHFFFAOYSA-N

Compound name

3-methoxyprop-1-ene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.98044 Da
Monoisotopic Mass: 0.5
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]+	170.98772	127.9
[M+Na]+	192.96966	137.3
[M-H]-	168.97316	129.2
[M+NH4]+	188.01426	149.7
[M+K]+	208.94360	134.9
[M+H-H2O]+	152.97770	125.0
[M+HCOO]-	214.97864	141.2
[M+CH3COO]-	228.99429	173.3
[M+Na-2H]-	190.95511	131.8
[M]+	169.97989	133.3
[M]-	169.98099	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.