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]+ 301.040816 163.4
[M+Na]+ 323.022758 173.9
[M-H]- 299.026264 169.6
[M+NH4]+ 318.067363 178.9
[M+K]+ 338.996698 170.2
[M+H-H2O]+ 283.030800 157.1
[M+HCOO]- 345.031741 172.7
[M+CH3COO]- 359.047391 175.4
[M+Na-2H]- 321.008206 167.5
[M]+ 300.03299142 167.6
[M]- 300.03408858 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.