CID 98463857

5-(acetamidomethyl)-1-methyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H10ClN3O3S
SMILES
CC(=O)NCC1=C(C=NN1C)S(=O)(=O)Cl
InChI
InChI=1S/C7H10ClN3O3S/c1-5(12)9-3-6-7(15(8,13)14)4-10-11(6)2/h4H,3H2,1-2H3,(H,9,12)
InChIKey
BMKJWRAWGDQGGV-UHFFFAOYSA-N
Compound name
5-(acetamidomethyl)-1-methylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.01314 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.02042 151.4
[M+Na]+ 274.00236 161.9
[M-H]- 250.00586 153.7
[M+NH4]+ 269.04696 169.2
[M+K]+ 289.97630 158.4
[M+H-H2O]+ 234.01040 145.9
[M+HCOO]- 296.01134 164.5
[M+CH3COO]- 310.02699 189.6
[M+Na-2H]- 271.98781 153.3
[M]+ 251.01259 157.1
[M]- 251.01369 157.1
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.