CID 3718443

2-methoxy-6-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₉ClO₃S

SMILES

CC1=C(C(=CC=C1)OC)S(=O)(=O)Cl

InChI

InChI=1S/C8H9ClO3S/c1-6-4-3-5-7(12-2)8(6)13(9,10)11/h3-5H,1-2H3

InChIKey

FMOOXIZNAXBKGD-UHFFFAOYSA-N

Compound name

2-methoxy-6-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 219.9961 Da
Monoisotopic Mass: 2.3
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]+	221.00338	143.8
[M+Na]+	242.98532	157.2
[M+NH4]+	238.02992	152.2
[M+K]+	258.95926	149.3
[M-H]-	218.98882	144.9
[M+Na-2H]-	240.97077	149.7
[M]+	219.99555	146.8
[M]-	219.99665	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe