CID 84173588

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

Structural Information

Molecular Formula
C10H9BrN2O
SMILES
CC1=CC(=O)NN1C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2O/c1-7-6-10(14)12-13(7)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,14)
InChIKey
VHPYDNHICYHSHD-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-3-methyl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98982 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99710 150.4
[M+Na]+ 274.97904 154.9
[M+NH4]+ 270.02364 154.6
[M+K]+ 290.95298 155.8
[M-H]- 250.98254 151.1
[M+Na-2H]- 272.96449 154.4
[M]+ 251.98927 150.0
[M]- 251.99037 150.0
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.