CID 3853348

1-[(2,4-dichlorophenyl)methyl]-3-methyl-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C11H10Cl2N2O
SMILES
CC1=NN(C(=O)C1)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2N2O/c1-7-4-11(16)15(14-7)6-8-2-3-9(12)5-10(8)13/h2-3,5H,4,6H2,1H3
InChIKey
OOUZIZMWGAJRTF-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methyl]-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.01703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02431 153.4
[M+Na]+ 279.00625 165.1
[M-H]- 255.00975 157.2
[M+NH4]+ 274.05085 171.2
[M+K]+ 294.98019 158.9
[M+H-H2O]+ 239.01429 146.4
[M+HCOO]- 301.01523 165.8
[M+CH3COO]- 315.03088 192.7
[M+Na-2H]- 276.99170 155.0
[M]+ 256.01648 156.7
[M]- 256.01758 156.7
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.