CID 122685724

1802734-04-8

Structural Information

Molecular Formula

C₇H₃Cl₂NO₃S

SMILES

C1=CN=C(C2=C1OC(=C2)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C7H3Cl2NO3S/c8-7-4-3-6(14(9,11)12)13-5(4)1-2-10-7/h1-3H

InChIKey

PFXOQWRJTGIVMI-UHFFFAOYSA-N

Compound name

4-chlorofuro[3,2-c]pyridine-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 250.92107 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]+	251.92835	144.9
[M+Na]+	273.91029	159.3
[M-H]-	249.91379	150.3
[M+NH4]+	268.95489	164.9
[M+K]+	289.88423	155.4
[M+H-H2O]+	233.91833	141.7
[M+HCOO]-	295.91927	154.7
[M+CH3COO]-	309.93492	184.6
[M+Na-2H]-	271.89574	151.4
[M]+	250.92052	154.3
[M]-	250.92162	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe