CID 24728348

697739-05-2

Structural Information

Molecular Formula
C9H7FN2O2
SMILES
COC(=O)C1=C2C=NNC2=CC(=C1)F
InChI
InChI=1S/C9H7FN2O2/c1-14-9(13)6-2-5(10)3-8-7(6)4-11-12-8/h2-4H,1H3,(H,11,12)
InChIKey
HLNVECDTQXVGPS-UHFFFAOYSA-N
Compound name
methyl 6-fluoro-1H-indazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

194.04915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05643 136.2
[M+Na]+ 217.03837 147.5
[M-H]- 193.04187 136.6
[M+NH4]+ 212.08297 155.6
[M+K]+ 233.01231 144.1
[M+H-H2O]+ 177.04641 128.8
[M+HCOO]- 239.04735 157.4
[M+CH3COO]- 253.06300 179.6
[M+Na-2H]- 215.02382 142.4
[M]+ 194.04860 137.5
[M]- 194.04970 137.5
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