CID 69445053

848678-61-5

Structural Information

Molecular Formula
C8H5FN2O2
SMILES
C1=CC(=C(C2=C1NN=C2)C(=O)O)F
InChI
InChI=1S/C8H5FN2O2/c9-5-1-2-6-4(3-10-11-6)7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
QORYJQHEAIVCOI-UHFFFAOYSA-N
Compound name
5-fluoro-1H-indazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.03351 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.040786 131.8
[M+Na]+ 203.022728 143.1
[M-H]- 179.026234 130.9
[M+NH4]+ 198.067333 151.0
[M+K]+ 218.996668 139.0
[M+H-H2O]+ 163.030770 124.9
[M+HCOO]- 225.031711 151.8
[M+CH3COO]- 239.047361 174.7
[M+Na-2H]- 201.008176 138.1
[M]+ 180.03296142 131.0
[M]- 180.03405858 131.0
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