CID 24729247

7-fluoro-1h-indazole

Structural Information

Molecular Formula
C7H5FN2
SMILES
C1=CC2=C(C(=C1)F)NN=C2
InChI
InChI=1S/C7H5FN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
InChIKey
FQNFMARSNKXCAF-UHFFFAOYSA-N
Compound name
7-fluoro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

175
Patents

136.04367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05095 122.3
[M+Na]+ 159.03289 135.9
[M+NH4]+ 154.07749 131.1
[M+K]+ 175.00683 130.9
[M-H]- 135.03639 122.4
[M+Na-2H]- 157.01834 129.6
[M]+ 136.04312 124.2
[M]- 136.04422 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe