CID 55279251

1216296-89-7

Structural Information

Molecular Formula
C6H7ClN2O2S
SMILES
C=CCN1C=C(C=N1)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O2S/c1-2-3-9-5-6(4-8-9)12(7,10)11/h2,4-5H,1,3H2
InChIKey
GRPGSKMCHYUBBC-UHFFFAOYSA-N
Compound name
1-prop-2-enylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99167 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.998946 140.3
[M+Na]+ 228.980888 151.9
[M-H]- 204.984394 142.3
[M+NH4]+ 224.025493 160.1
[M+K]+ 244.954828 147.8
[M+H-H2O]+ 188.988930 135.1
[M+HCOO]- 250.989871 153.5
[M+CH3COO]- 265.005521 178.3
[M+Na-2H]- 226.966336 143.4
[M]+ 205.99112142 145.2
[M]- 205.99221858 145.2
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.