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]+ 206.99895 140.3
[M+Na]+ 228.98089 151.9
[M-H]- 204.98439 142.3
[M+NH4]+ 224.02549 160.1
[M+K]+ 244.95483 147.8
[M+H-H2O]+ 188.98893 135.1
[M+HCOO]- 250.98987 153.5
[M+CH3COO]- 265.00552 178.3
[M+Na-2H]- 226.96634 143.4
[M]+ 205.99112 145.2
[M]- 205.99222 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.