CID 86812429

4,5,6,7-tetrahydro-2h-indazole-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClN2O2S
SMILES
C1CCC2=C(C1)C(=NN2)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClN2O2S/c8-13(11,12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)
InChIKey
IYIDOXVJSWCIAE-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00732 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.014596 144.2
[M+Na]+ 242.996538 154.1
[M-H]- 219.000044 145.0
[M+NH4]+ 238.041143 163.6
[M+K]+ 258.970478 149.5
[M+H-H2O]+ 203.004580 139.4
[M+HCOO]- 265.005521 152.6
[M+CH3COO]- 279.021171 177.8
[M+Na-2H]- 240.981986 147.9
[M]+ 220.00677142 144.8
[M]- 220.00786858 144.8
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

No patent data available for this compound.