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]+ 251.025176 150.9
[M+Na]+ 273.007118 159.7
[M-H]- 249.010624 155.8
[M+NH4]+ 268.051723 167.1
[M+K]+ 288.981058 157.4
[M+H-H2O]+ 233.015160 144.8
[M+HCOO]- 295.016101 160.2
[M+CH3COO]- 309.031751 184.0
[M+Na-2H]- 270.992566 153.6
[M]+ 250.01735142 152.8
[M]- 250.01844858 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