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

78
Patents

215.97603 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98331 140.4
[M+Na]+ 238.96525 153.6
[M-H]- 214.96875 142.5
[M+NH4]+ 234.00985 160.4
[M+K]+ 254.93919 148.2
[M+H-H2O]+ 198.97329 135.7
[M+HCOO]- 260.97423 153.2
[M+CH3COO]- 274.98988 154.2
[M+Na-2H]- 236.95070 146.9
[M]+ 215.97548 145.3
[M]- 215.97658 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