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]+ 258.009836 152.8
[M+Na]+ 279.991778 165.3
[M-H]- 255.995284 157.1
[M+NH4]+ 275.036383 169.3
[M+K]+ 295.965718 160.3
[M+H-H2O]+ 239.999820 145.8
[M+HCOO]- 302.000761 165.2
[M+CH3COO]- 316.016411 187.8
[M+Na-2H]- 277.977226 156.1
[M]+ 257.00201142 158.1
[M]- 257.00310858 158.1
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.