CID 137951514

2167367-61-3

Structural Information

Molecular Formula
C9H13ClN2O3S
SMILES
CN1C=C(C(=N1)C2CCOCC2)S(=O)(=O)Cl
InChI
InChI=1S/C9H13ClN2O3S/c1-12-6-8(16(10,13)14)9(11-12)7-2-4-15-5-3-7/h6-7H,2-5H2,1H3
InChIKey
UNCKJOHBAPVVEX-UHFFFAOYSA-N
Compound name
1-methyl-3-(oxan-4-yl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03354 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04082 155.4
[M+Na]+ 287.02276 164.6
[M-H]- 263.02626 160.5
[M+NH4]+ 282.06736 171.3
[M+K]+ 302.99670 162.0
[M+H-H2O]+ 247.03080 149.4
[M+HCOO]- 309.03174 164.2
[M+CH3COO]- 323.04739 188.2
[M+Na-2H]- 285.00821 156.9
[M]+ 264.03299 158.0
[M]- 264.03409 158.0
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.