CID 17842350

6-fluoro-1h-indazole

Structural Information

Molecular Formula
C7H5FN2
SMILES
C1=CC2=C(C=C1F)NN=C2
InChI
InChI=1S/C7H5FN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKey
CFMZDEQEVCDMRN-UHFFFAOYSA-N
Compound name
6-fluoro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

400
Patents

136.04367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05095 120.9
[M+Na]+ 159.03289 132.3
[M-H]- 135.03639 121.0
[M+NH4]+ 154.07749 142.5
[M+K]+ 175.00683 128.5
[M+H-H2O]+ 119.04093 113.7
[M+HCOO]- 181.04187 143.2
[M+CH3COO]- 195.05752 135.4
[M+Na-2H]- 157.01834 130.1
[M]+ 136.04312 119.6
[M]- 136.04422 119.6
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