CID 3008299

2-(4-bromo-2-fluoro-phenyl)-1-(furan-2-carbonyl)-5-methyl-pyrazol-3-one

Structural Information

Molecular Formula
C15H10BrFN2O3
SMILES
CC1=CC(=O)N(N1C(=O)C2=CC=CO2)C3=C(C=C(C=C3)Br)F
InChI
InChI=1S/C15H10BrFN2O3/c1-9-7-14(20)19(12-5-4-10(16)8-11(12)17)18(9)15(21)13-3-2-6-22-13/h2-8H,1H3
InChIKey
ORDMWJRVESFEMI-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)-1-(furan-2-carbonyl)-5-methylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.98587 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99315 171.9
[M+Na]+ 386.97509 187.3
[M-H]- 362.97859 183.2
[M+NH4]+ 382.01969 188.5
[M+K]+ 402.94903 176.8
[M+H-H2O]+ 346.98313 170.3
[M+HCOO]- 408.98407 193.3
[M+CH3COO]- 422.99972 187.0
[M+Na-2H]- 384.96054 173.6
[M]+ 363.98532 194.9
[M]- 363.98642 194.9
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

No patent data available for this compound.