CID 13769571

108318-75-8

Structural Information

Molecular Formula

C₉H₉ClO₅S

SMILES

COC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)Cl

InChI

InChI=1S/C9H9ClO5S/c1-14-6-3-4-7(9(11)15-2)8(5-6)16(10,12)13/h3-5H,1-2H3

InChIKey

OJRCIKNACBOQPP-UHFFFAOYSA-N

Compound name

methyl 2-chlorosulfonyl-4-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 263.98593 Da
Monoisotopic Mass: 2.4
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]+	264.99321	153.1
[M+Na]+	286.97515	164.9
[M+NH4]+	282.01975	159.7
[M+K]+	302.94909	158.7
[M-H]-	262.97865	152.6
[M+Na-2H]-	284.96060	157.5
[M]+	263.98538	155.2
[M]-	263.98648	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe