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 159.2
[M-H]- 233.01570 150.9
[M+NH4]+ 252.05680 168.3
[M+K]+ 272.98614 155.3
[M+H-H2O]+ 217.02024 143.5
[M+HCOO]- 279.02118 158.0
[M+CH3COO]- 293.03683 184.5
[M+Na-2H]- 254.99765 151.4
[M]+ 234.02243 151.6
[M]- 234.02353 151.6
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.