CID 145875152

2167163-78-0

Structural Information

Molecular Formula
C6H10ClN3O2S
SMILES
CC1=C(C(=NN1C)CCl)S(=O)(=O)N
InChI
InChI=1S/C6H10ClN3O2S/c1-4-6(13(8,11)12)5(3-7)9-10(4)2/h3H2,1-2H3,(H2,8,11,12)
InChIKey
AKNMWUMVGQLNHO-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,5-dimethylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.01822 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.02550 145.2
[M+Na]+ 246.00744 157.1
[M-H]- 222.01094 147.2
[M+NH4]+ 241.05204 164.3
[M+K]+ 261.98138 153.0
[M+H-H2O]+ 206.01548 140.1
[M+HCOO]- 268.01642 158.4
[M+CH3COO]- 282.03207 185.8
[M+Na-2H]- 243.99289 146.6
[M]+ 223.01767 149.7
[M]- 223.01877 149.7
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.