CID 15487110

194032-16-1

Structural Information

Molecular Formula

C₁₀H₈ClNO₂S

SMILES

CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H8ClNO2S/c1-7-5-12-6-8-3-2-4-9(10(7)8)15(11,13)14/h2-6H,1H3

InChIKey

JHXVHTVZWRBEBJ-UHFFFAOYSA-N

Compound name

4-methylisoquinoline-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 240.99643 Da
Monoisotopic Mass: 2.5
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]+	242.00371	148.4
[M+Na]+	263.98565	163.7
[M+NH4]+	259.03025	157.6
[M+K]+	279.95959	154.5
[M-H]-	239.98915	150.3
[M+Na-2H]-	261.97110	155.5
[M]+	240.99588	152.1
[M]-	240.99698	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe