CID 15145017

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

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CN1C(=O)CC(=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2O/c1-13-10(14)6-9(12-13)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKey
IGDZNVNGUGOWNM-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

208.04034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 142.2
[M+Na]+ 231.02956 153.2
[M-H]- 207.03306 146.7
[M+NH4]+ 226.07416 161.3
[M+K]+ 247.00350 148.5
[M+H-H2O]+ 191.03760 135.0
[M+HCOO]- 253.03854 160.2
[M+CH3COO]- 267.05419 184.0
[M+Na-2H]- 229.01501 146.0
[M]+ 208.03979 143.9
[M]- 208.04089 143.9
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