CID 33789092

866472-46-0

Structural Information

Molecular Formula
C10H9FN2O
SMILES
CC1=NN(C(=O)C1)C2=CC=CC=C2F
InChI
InChI=1S/C10H9FN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKey
HPZVFVKXBQLABG-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

192.06989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 137.6
[M+Na]+ 215.059108 148.0
[M-H]- 191.062614 141.1
[M+NH4]+ 210.103713 156.6
[M+K]+ 231.033048 144.7
[M+H-H2O]+ 175.067150 129.2
[M+HCOO]- 237.068091 159.4
[M+CH3COO]- 251.083741 182.9
[M+Na-2H]- 213.044556 141.5
[M]+ 192.06934142 136.5
[M]- 192.07043858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe