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]+ 215.02850 140.6
[M+Na]+ 237.01044 153.6
[M-H]- 213.01394 141.5
[M+NH4]+ 232.05504 160.0
[M+K]+ 252.98438 149.0
[M+H-H2O]+ 197.01848 134.5
[M+HCOO]- 259.01942 156.6
[M+CH3COO]- 273.03507 179.8
[M+Na-2H]- 234.99589 145.9
[M]+ 214.02067 143.5
[M]- 214.02177 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.