CID 43542815

1-(2-bromophenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C15H11BrN2O
SMILES
C1C(=NN(C1=O)C2=CC=CC=C2Br)C3=CC=CC=C3
InChI
InChI=1S/C15H11BrN2O/c16-12-8-4-5-9-14(12)18-15(19)10-13(17-18)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
QVOVBBCEYGAUMF-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-5-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.012776 163.2
[M+Na]+ 336.994718 175.3
[M-H]- 312.998224 173.2
[M+NH4]+ 332.039323 180.6
[M+K]+ 352.968658 163.1
[M+H-H2O]+ 297.002760 161.2
[M+HCOO]- 359.003701 183.4
[M+CH3COO]- 373.019351 177.3
[M+Na-2H]- 334.980166 168.1
[M]+ 314.00495142 181.1
[M]- 314.00604858 181.1
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