CID 132372807

2168380-28-5

Structural Information

Molecular Formula
C9H8FN3O
SMILES
C1=CC(=C(C=C1N)F)N2C=CC(=O)N2
InChI
InChI=1S/C9H8FN3O/c10-7-5-6(11)1-2-8(7)13-4-3-9(14)12-13/h1-5H,11H2,(H,12,14)
InChIKey
QJOHJHACDUMHSI-UHFFFAOYSA-N
Compound name
2-(4-amino-2-fluorophenyl)-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06514 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07242 136.9
[M+Na]+ 216.05436 147.5
[M-H]- 192.05786 139.1
[M+NH4]+ 211.09896 154.6
[M+K]+ 232.02830 142.7
[M+H-H2O]+ 176.06240 128.6
[M+HCOO]- 238.06334 159.4
[M+CH3COO]- 252.07899 181.3
[M+Na-2H]- 214.03981 141.3
[M]+ 193.06459 133.3
[M]- 193.06569 133.3
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

No patent data available for this compound.