CID 54595105

5-methyl-1-(pyridin-2-yl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H8ClN3O2S
SMILES
CC1=C(C=NN1C2=CC=CC=N2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClN3O2S/c1-7-8(16(10,14)15)6-12-13(7)9-4-2-3-5-11-9/h2-6H,1H3
InChIKey
PZCFGABYLJCQNF-UHFFFAOYSA-N
Compound name
5-methyl-1-pyridin-2-ylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00984 154.0
[M+Na]+ 279.99178 168.0
[M+NH4]+ 275.03638 161.2
[M+K]+ 295.96572 161.8
[M-H]- 255.99528 155.0
[M+Na-2H]- 277.97723 161.0
[M]+ 257.00201 157.0
[M]- 257.00311 157.0
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.