CID 83387267

6-fluoro-1-methyl-1h-indazole-7-carboxylic acid

Structural Information

Molecular Formula
C9H7FN2O2
SMILES
CN1C2=C(C=CC(=C2C(=O)O)F)C=N1
InChI
InChI=1S/C9H7FN2O2/c1-12-8-5(4-11-12)2-3-6(10)7(8)9(13)14/h2-4H,1H3,(H,13,14)
InChIKey
ILOIDZAGOYWRCM-UHFFFAOYSA-N
Compound name
6-fluoro-1-methylindazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04915 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.056426 135.8
[M+Na]+ 217.038368 148.0
[M-H]- 193.041874 136.6
[M+NH4]+ 212.082973 155.5
[M+K]+ 233.012308 144.6
[M+H-H2O]+ 177.046410 128.8
[M+HCOO]- 239.047351 157.0
[M+CH3COO]- 253.063001 181.5
[M+Na-2H]- 215.023816 141.3
[M]+ 194.04860142 137.6
[M]- 194.04969858 137.6
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

No patent data available for this compound.