CID 63936713

1-(oxan-4-yl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C8H11ClN2O3S
SMILES
C1COCCC1N2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C8H11ClN2O3S/c9-15(12,13)8-5-10-11(6-8)7-1-3-14-4-2-7/h5-7H,1-4H2
InChIKey
LTPLOYIMKPBLRK-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.0179 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02518 151.1
[M+Na]+ 273.00712 162.2
[M+NH4]+ 268.05172 158.4
[M+K]+ 288.98106 157.4
[M-H]- 249.01062 153.1
[M+Na-2H]- 270.99257 155.5
[M]+ 250.01735 153.8
[M]- 250.01845 153.8
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

patents stripe