CID 19620088

3-methyl-1-propyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClN2O2S
SMILES
CCCN1C=C(C(=N1)C)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClN2O2S/c1-3-4-10-5-7(6(2)9-10)13(8,11)12/h5H,3-4H2,1-2H3
InChIKey
MHMMJWSVCOHMGK-UHFFFAOYSA-N
Compound name
3-methyl-1-propylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02298 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03026 144.9
[M+Na]+ 245.01220 156.6
[M-H]- 221.01570 147.1
[M+NH4]+ 240.05680 164.4
[M+K]+ 260.98614 152.8
[M+H-H2O]+ 205.02024 139.7
[M+HCOO]- 267.02118 157.6
[M+CH3COO]- 281.03683 183.4
[M+Na-2H]- 242.99765 146.9
[M]+ 222.02243 151.2
[M]- 222.02353 151.2
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.