CID 3597398

1-[(2,6-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=CC=C2Cl)Cl
InChI
InChI=1S/C11H10Cl2N2O/c1-7-5-11(16)15(14-7)6-8-9(12)3-2-4-10(8)13/h2-4H,5-6H2,1H3
InChIKey
MWTLFGBCJNUKKU-UHFFFAOYSA-N
Compound name
2-[(2,6-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 152.3
[M+Na]+ 279.00625 167.8
[M+NH4]+ 274.05085 160.9
[M+K]+ 294.98019 161.4
[M-H]- 255.00975 155.0
[M+Na-2H]- 276.99170 159.6
[M]+ 256.01648 155.9
[M]- 256.01758 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.