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]+ 315.01278 163.2
[M+Na]+ 336.99472 175.3
[M-H]- 312.99822 173.2
[M+NH4]+ 332.03932 180.6
[M+K]+ 352.96866 163.1
[M+H-H2O]+ 297.00276 161.2
[M+HCOO]- 359.00370 183.4
[M+CH3COO]- 373.01935 177.3
[M+Na-2H]- 334.98017 168.1
[M]+ 314.00495 181.1
[M]- 314.00605 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