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]+ 221.01460 143.7
[M+Na]+ 242.99654 154.6
[M+NH4]+ 238.04114 151.7
[M+K]+ 258.97048 149.1
[M-H]- 219.00004 142.9
[M+Na-2H]- 240.98199 147.0
[M]+ 220.00677 145.6
[M]- 220.00787 145.6
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.