CID 43436733

Methyl 5-(chlorosulfonyl)-2-methoxybenzoate

Structural Information

Molecular Formula

C₉H₉ClO₅S

SMILES

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

InChI

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

InChIKey

YDEWENZFUMWNIM-UHFFFAOYSA-N

Compound name

methyl 5-chlorosulfonyl-2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 263.98593 Da
Monoisotopic Mass: 2.1
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