CID 59334560

1383474-59-6

Structural Information

Molecular Formula
C9H7FN2O2
SMILES
COC(=O)C1=C(C=CC2=C1C=NN2)F
InChI
InChI=1S/C9H7FN2O2/c1-14-9(13)8-5-4-11-12-7(5)3-2-6(8)10/h2-4H,1H3,(H,11,12)
InChIKey
HHZOOICJTXZPJX-UHFFFAOYSA-N
Compound name
methyl 5-fluoro-1H-indazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

194.04915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.056426 136.2
[M+Na]+ 217.038368 147.5
[M-H]- 193.041874 136.6
[M+NH4]+ 212.082973 155.6
[M+K]+ 233.012308 144.1
[M+H-H2O]+ 177.046410 128.8
[M+HCOO]- 239.047351 157.4
[M+CH3COO]- 253.063001 179.6
[M+Na-2H]- 215.023816 142.4
[M]+ 194.04860142 137.5
[M]- 194.04969858 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