CID 17864361

5-methylfuran-2-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₅ClO₃S

SMILES

CC1=CC=C(O1)S(=O)(=O)Cl

InChI

InChI=1S/C5H5ClO3S/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3

InChIKey

YNNRJWKCQVUBDZ-UHFFFAOYSA-N

Compound name

5-methylfuran-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 179.9648 Da
Monoisotopic Mass: 1.7
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]+	180.97208	133.7
[M+Na]+	202.95402	145.6
[M+NH4]+	197.99862	142.1
[M+K]+	218.92796	140.7
[M-H]-	178.95752	135.1
[M+Na-2H]-	200.93947	137.9
[M]+	179.96425	136.5
[M]-	179.96535	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe