CID 72735720

2-(4-bromophenyl)pyrazolidin-3-one

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
C1CNN(C1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11-12/h1-4,11H,5-6H2
InChIKey
XDEWYBMUFSUFQR-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98982 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99710 144.5
[M+Na]+ 262.97904 156.0
[M-H]- 238.98254 150.1
[M+NH4]+ 258.02364 164.3
[M+K]+ 278.95298 144.3
[M+H-H2O]+ 222.98708 143.7
[M+HCOO]- 284.98802 162.6
[M+CH3COO]- 299.00367 158.7
[M+Na-2H]- 260.96449 149.8
[M]+ 239.98927 159.4
[M]- 239.99037 159.4
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.