CID 24728152

6-amino-4-fluoro-1h-indazol-3-ol

Structural Information

Molecular Formula
C7H6FN3O
SMILES
C1=C(C=C(C2=C1NNC2=O)F)N
InChI
InChI=1S/C7H6FN3O/c8-4-1-3(9)2-5-6(4)7(12)11-10-5/h1-2H,9H2,(H2,10,11,12)
InChIKey
ONPNYWYDYDFKIN-UHFFFAOYSA-N
Compound name
6-amino-4-fluoro-1,2-dihydroindazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.04948 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05676 128.5
[M+Na]+ 190.03870 140.7
[M-H]- 166.04220 127.5
[M+NH4]+ 185.08330 148.1
[M+K]+ 206.01264 135.3
[M+H-H2O]+ 150.04674 121.7
[M+HCOO]- 212.04768 150.0
[M+CH3COO]- 226.06333 142.0
[M+Na-2H]- 188.02415 135.2
[M]+ 167.04893 125.3
[M]- 167.05003 125.3
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

patents stripe