CID 122445413

1980023-94-6

Structural Information

Molecular Formula
C10H8FN3O
SMILES
CC(=O)C1=CN=C(C=C1)N2C=C(C=N2)F
InChI
InChI=1S/C10H8FN3O/c1-7(15)8-2-3-10(12-4-8)14-6-9(11)5-13-14/h2-6H,1H3
InChIKey
RZSBWJWWGZZASY-UHFFFAOYSA-N
Compound name
1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

205.06514 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07242 140.8
[M+Na]+ 228.05436 151.1
[M-H]- 204.05786 143.0
[M+NH4]+ 223.09896 157.5
[M+K]+ 244.02830 147.8
[M+H-H2O]+ 188.06240 131.3
[M+HCOO]- 250.06334 161.7
[M+CH3COO]- 264.07899 185.1
[M+Na-2H]- 226.03981 145.2
[M]+ 205.06459 140.7
[M]- 205.06569 140.7
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