CID 54594033

6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H6ClN3O2S
SMILES
CC1=CN2C(=NC(=N2)S(=O)(=O)Cl)C=C1
InChI
InChI=1S/C7H6ClN3O2S/c1-5-2-3-6-9-7(14(8,12)13)10-11(6)4-5/h2-4H,1H3
InChIKey
KECYNGBGFOZWMW-UHFFFAOYSA-N
Compound name
6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.98692 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.994196 144.6
[M+Na]+ 253.976138 159.0
[M-H]- 229.979644 147.0
[M+NH4]+ 249.020743 163.6
[M+K]+ 269.950078 154.4
[M+H-H2O]+ 213.984180 139.0
[M+HCOO]- 275.985121 157.4
[M+CH3COO]- 290.000771 183.4
[M+Na-2H]- 251.961586 150.6
[M]+ 230.98637142 152.0
[M]- 230.98746858 152.0
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.