CID 18525939

871825-61-5

Structural Information

Molecular Formula

C₇H₇ClO₄S₂

SMILES

C1COC(O1)C2=CC=C(S2)S(=O)(=O)Cl

InChI

InChI=1S/C7H7ClO4S2/c8-14(9,10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7H,3-4H2

InChIKey

FXLSSUOFGGIMFF-UHFFFAOYSA-N

Compound name

5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 253.94743 Da
Monoisotopic Mass: 1.4
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]+	254.95471	152.3
[M+Na]+	276.93665	162.0
[M+NH4]+	271.98125	160.6
[M+K]+	292.91059	157.7
[M-H]-	252.94015	156.1
[M+Na-2H]-	274.92210	154.7
[M]+	253.94688	155.8
[M]-	253.94798	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe