CID 56956184

1416371-96-4

Structural Information

Molecular Formula
C6H7FN2O2
SMILES
CCOC(=O)C1=NNC(=C1)F
InChI
InChI=1S/C6H7FN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
InChIKey
FCQJGOMGQMVHEN-UHFFFAOYSA-N
Compound name
ethyl 5-fluoro-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

158.04915 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.056426 128.9
[M+Na]+ 181.038368 138.1
[M-H]- 157.041874 127.6
[M+NH4]+ 176.082973 148.3
[M+K]+ 197.012308 136.6
[M+H-H2O]+ 141.046410 121.5
[M+HCOO]- 203.047351 149.7
[M+CH3COO]- 217.063001 172.2
[M+Na-2H]- 179.023816 133.3
[M]+ 158.04860142 128.3
[M]- 158.04969858 128.3
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