CID 154809672

2551120-29-5

Structural Information

Molecular Formula
C5H8ClN3O2S
SMILES
CN1C(=C(C=N1)S(=O)(=O)N)CCl
InChI
InChI=1S/C5H8ClN3O2S/c1-9-4(2-6)5(3-8-9)12(7,10)11/h3H,2H2,1H3,(H2,7,10,11)
InChIKey
ZPVBIIIIBNWHQA-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-methylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.00258 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00986 140.9
[M+Na]+ 231.99180 152.4
[M-H]- 207.99530 142.7
[M+NH4]+ 227.03640 160.2
[M+K]+ 247.96574 148.5
[M+H-H2O]+ 191.99984 135.6
[M+HCOO]- 254.00078 154.5
[M+CH3COO]- 268.01643 181.6
[M+Na-2H]- 229.97725 143.4
[M]+ 209.00203 144.7
[M]- 209.00313 144.7
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.