CID 125511561

6-methyl-1h-indazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C8H7FN2O2S
SMILES
CC1=CC2=C(C=C1S(=O)(=O)F)C=NN2
InChI
InChI=1S/C8H7FN2O2S/c1-5-2-7-6(4-10-11-7)3-8(5)14(9,12)13/h2-4H,1H3,(H,10,11)
InChIKey
CYCPDGKTXHFJPS-UHFFFAOYSA-N
Compound name
6-methyl-1H-indazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.028496 140.6
[M+Na]+ 237.010438 153.6
[M-H]- 213.013944 141.5
[M+NH4]+ 232.055043 160.0
[M+K]+ 252.984378 149.0
[M+H-H2O]+ 197.018480 134.5
[M+HCOO]- 259.019421 156.6
[M+CH3COO]- 273.035071 179.8
[M+Na-2H]- 234.995886 145.9
[M]+ 214.02067142 143.5
[M]- 214.02176858 143.5
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.