CID 62199108

1247754-99-9

Structural Information

Molecular Formula

C₇H₆ClIO₃S

SMILES

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

InChI

InChI=1S/C7H6ClIO3S/c1-12-5-2-3-6(9)7(4-5)13(8,10)11/h2-4H,1H3

InChIKey

NHVUTEOEJCFDAA-UHFFFAOYSA-N

Compound name

2-iodo-5-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.87708 Da
Monoisotopic Mass: 2.6
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]+	332.88436	154.5
[M+Na]+	354.86630	159.9
[M+NH4]+	349.91090	158.3
[M+K]+	370.84024	155.5
[M-H]-	330.86980	149.2
[M+Na-2H]-	352.85175	147.6
[M]+	331.87653	153.5
[M]-	331.87763	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.