CID 22567144

1h-indazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O2S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)C=NN2
InChI
InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
OHNCNPVNTFTJLX-UHFFFAOYSA-N
Compound name
1H-indazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

215.97603 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.983306 140.4
[M+Na]+ 238.965248 153.6
[M-H]- 214.968754 142.5
[M+NH4]+ 234.009853 160.4
[M+K]+ 254.939188 148.2
[M+H-H2O]+ 198.973290 135.7
[M+HCOO]- 260.974231 153.2
[M+CH3COO]- 274.989881 154.2
[M+Na-2H]- 236.950696 146.9
[M]+ 215.97548142 145.3
[M]- 215.97657858 145.3
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

patents stripe