CID 132327535

Methyl 1-(chlorosulfonyl)imidazo[1,5-a]pyridine-6-carboxylate

Structural Information

Molecular Formula

C₉H₇ClN₂O₄S

SMILES

COC(=O)C1=CN2C=NC(=C2C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H7ClN2O4S/c1-16-9(13)6-2-3-7-8(17(10,14)15)11-5-12(7)4-6/h2-5H,1H3

InChIKey

MNCYYQZUYCCAHU-UHFFFAOYSA-N

Compound name

methyl 1-chlorosulfonylimidazo[1,5-a]pyridine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.9815 Da
Monoisotopic Mass: 2.1
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]+	274.988776	154.0
[M+Na]+	296.970718	167.0
[M-H]-	272.974224	157.7
[M+NH4]+	292.015323	172.3
[M+K]+	312.944658	163.2
[M+H-H2O]+	256.978760	148.9
[M+HCOO]-	318.979701	167.2
[M+CH3COO]-	332.995351	190.0
[M+Na-2H]-	294.956166	158.8
[M]+	273.98095142	163.3
[M]-	273.98204858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.