CID 12922634

56875-56-0

Structural Information

Molecular Formula

C₁₁H₉ClO₃S

SMILES

COC1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl

InChI

InChI=1S/C11H9ClO3S/c1-15-10-6-2-5-9-8(10)4-3-7-11(9)16(12,13)14/h2-7H,1H3

InChIKey

DJJHTPFEINDNQK-UHFFFAOYSA-N

Compound name

5-methoxynaphthalene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 255.9961 Da
Monoisotopic Mass: 3.2
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]+	257.00338	151.1
[M+Na]+	278.98532	166.0
[M+NH4]+	274.02992	160.4
[M+K]+	294.95926	156.8
[M-H]-	254.98882	153.4
[M+Na-2H]-	276.97077	158.1
[M]+	255.99555	154.8
[M]-	255.99665	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe