CID 84698178

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

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
CN1C(=C2CCCCC2=N1)S(=O)(=O)Cl
InChI
InChI=1S/C8H11ClN2O2S/c1-11-8(14(9,12)13)6-4-2-3-5-7(6)10-11/h2-5H2,1H3
InChIKey
YYBOAZUOHSUHIC-UHFFFAOYSA-N
Compound name
2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02298 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03026 148.4
[M+Na]+ 257.01220 159.9
[M+NH4]+ 252.05680 156.6
[M+K]+ 272.98614 154.1
[M-H]- 233.01570 148.2
[M+Na-2H]- 254.99765 151.7
[M]+ 234.02243 150.6
[M]- 234.02353 150.6
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.