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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98878 154.0
[M+Na]+ 296.97072 167.0
[M-H]- 272.97422 157.7
[M+NH4]+ 292.01532 172.3
[M+K]+ 312.94466 163.2
[M+H-H2O]+ 256.97876 148.9
[M+HCOO]- 318.97970 167.2
[M+CH3COO]- 332.99535 190.0
[M+Na-2H]- 294.95617 158.8
[M]+ 273.98095 163.3
[M]- 273.98205 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.