CID 11856547

4-fluoroisoquinoline-5-sulfonylchloride

Structural Information

Molecular Formula

C₉H₅ClFNO₂S

SMILES

C1=CC2=CN=CC(=C2C(=C1)S(=O)(=O)Cl)F

InChI

InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8/h1-5H

InChIKey

UZUCKWMDQGESLP-UHFFFAOYSA-N

Compound name

4-fluoroisoquinoline-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 86
Patents: 244.97136 Da
Monoisotopic Mass: 2.2
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]+	245.97864	143.3
[M+Na]+	267.96058	155.7
[M-H]-	243.96408	146.3
[M+NH4]+	263.00518	162.3
[M+K]+	283.93452	150.3
[M+H-H2O]+	227.96862	137.5
[M+HCOO]-	289.96956	155.0
[M+CH3COO]-	303.98521	186.8
[M+Na-2H]-	265.94603	150.1
[M]+	244.97081	147.5
[M]-	244.97191	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe