CID 162345040

Ns00133336

Structural Information

Molecular Formula
C11H12Cl2N2O2
SMILES
CC1CC(=O)N(N1C)C2=C(C(=CC(=C2)O)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O2/c1-6-3-10(17)15(14(6)2)9-5-7(16)4-8(12)11(9)13/h4-6,16H,3H2,1-2H3
InChIKey
BHTRDIDIAMDHFC-UHFFFAOYSA-N
Compound name
2-(2,3-dichloro-5-hydroxyphenyl)-1,5-dimethylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0276 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.034876 157.7
[M+Na]+ 297.016818 169.6
[M-H]- 273.020324 160.7
[M+NH4]+ 292.061423 174.6
[M+K]+ 312.990758 163.4
[M+H-H2O]+ 257.024860 151.8
[M+HCOO]- 319.025801 167.4
[M+CH3COO]- 333.041451 195.1
[M+Na-2H]- 295.002266 156.7
[M]+ 274.02705142 160.0
[M]- 274.02814858 160.0
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.