CID 146050080

2413885-08-0

Structural Information

Molecular Formula
C12H13ClN2O3S
SMILES
C1CCOC(C1)N2C3=C(C=N2)C(=CC=C3)S(=O)(=O)Cl
InChI
InChI=1S/C12H13ClN2O3S/c13-19(16,17)11-5-3-4-10-9(11)8-14-15(10)12-6-1-2-7-18-12/h3-5,8,12H,1-2,6-7H2
InChIKey
BOVURJNJBORFQI-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)indazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.03354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.04082 163.4
[M+Na]+ 323.02276 173.9
[M-H]- 299.02626 169.6
[M+NH4]+ 318.06736 178.9
[M+K]+ 338.99670 170.2
[M+H-H2O]+ 283.03080 157.1
[M+HCOO]- 345.03174 172.7
[M+CH3COO]- 359.04739 175.4
[M+Na-2H]- 321.00821 167.5
[M]+ 300.03299 167.6
[M]- 300.03409 167.6
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.