CID 121552656

4-methylfuran-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₅ClO₃S

SMILES

CC1=COC=C1S(=O)(=O)Cl

InChI

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

InChIKey

NYTLCOJJHVPVMB-UHFFFAOYSA-N

Compound name

4-methylfuran-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.9648 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]+	180.97208	130.7
[M+Na]+	202.95402	142.4
[M-H]-	178.95752	136.5
[M+NH4]+	197.99862	153.1
[M+K]+	218.92796	140.6
[M+H-H2O]+	162.96206	127.7
[M+HCOO]-	224.96300	146.1
[M+CH3COO]-	238.97865	172.9
[M+Na-2H]-	200.93947	135.8
[M]+	179.96425	137.2
[M]-	179.96535	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.