CID 71925828

1h-indazole-6-sulfonyl fluoride

Structural Information

Molecular Formula
C7H5FN2O2S
SMILES
C1=CC2=C(C=C1S(=O)(=O)F)NN=C2
InChI
InChI=1S/C7H5FN2O2S/c8-13(11,12)6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKey
JRWOJNCNWIWTFG-UHFFFAOYSA-N
Compound name
1H-indazole-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.00557 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01285 136.1
[M+Na]+ 222.99479 148.7
[M-H]- 198.99829 136.8
[M+NH4]+ 218.03939 155.8
[M+K]+ 238.96873 144.4
[M+H-H2O]+ 183.00283 129.9
[M+HCOO]- 245.00377 152.5
[M+CH3COO]- 259.01942 175.7
[M+Na-2H]- 220.98024 142.6
[M]+ 200.00502 138.2
[M]- 200.00612 138.2
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.