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 150.9
[M+Na]+ 273.00712 159.7
[M-H]- 249.01062 155.8
[M+NH4]+ 268.05172 167.1
[M+K]+ 288.98106 157.4
[M+H-H2O]+ 233.01516 144.8
[M+HCOO]- 295.01610 160.2
[M+CH3COO]- 309.03175 184.0
[M+Na-2H]- 270.99257 153.6
[M]+ 250.01735 152.8
[M]- 250.01845 152.8
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