CID 72207922

6-bromo-2-methyl-2h-indazole-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H6BrClN2O2S
SMILES
CN1C(=C2C=CC(=CC2=N1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C8H6BrClN2O2S/c1-12-8(15(10,13)14)6-3-2-5(9)4-7(6)11-12/h2-4H,1H3
InChIKey
GDJZBZOTIHWXJD-UHFFFAOYSA-N
Compound name
6-bromo-2-methylindazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.9022 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.90948 145.7
[M+Na]+ 330.89142 163.9
[M-H]- 306.89492 152.6
[M+NH4]+ 325.93602 167.3
[M+K]+ 346.86536 150.8
[M+H-H2O]+ 290.89946 147.6
[M+HCOO]- 352.90040 158.1
[M+CH3COO]- 366.91605 194.3
[M+Na-2H]- 328.87687 153.1
[M]+ 307.90165 171.9
[M]- 307.90275 171.9
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.