CID 24728218

6-fluoro-1h-indazol-3-ol

Structural Information

Molecular Formula
C7H5FN2O
SMILES
C1=CC2=C(C=C1F)NNC2=O
InChI
InChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKey
KBPHAHZMJXVUPU-UHFFFAOYSA-N
Compound name
6-fluoro-1,2-dihydroindazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

152.03859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.045866 124.2
[M+Na]+ 175.027808 136.4
[M-H]- 151.031314 123.3
[M+NH4]+ 170.072413 144.7
[M+K]+ 191.001748 131.4
[M+H-H2O]+ 135.035850 117.5
[M+HCOO]- 197.036791 145.3
[M+CH3COO]- 211.052441 138.2
[M+Na-2H]- 173.013256 132.1
[M]+ 152.03804142 122.2
[M]- 152.03913858 122.2
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