CID 82028814

2-chloro-1-[5-(furan-2-yl)-3-methyl-4,5-dihydro-1h-pyrazol-1-yl]ethan-1-one

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CC1=NN(C(C1)C2=CC=CO2)C(=O)CCl
InChI
InChI=1S/C10H11ClN2O2/c1-7-5-8(9-3-2-4-15-9)13(12-7)10(14)6-11/h2-4,8H,5-6H2,1H3
InChIKey
UPSJMRYXNOGQNF-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(furan-2-yl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0509 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.058176 148.7
[M+Na]+ 249.040118 158.3
[M-H]- 225.043624 153.8
[M+NH4]+ 244.084723 167.3
[M+K]+ 265.014058 156.0
[M+H-H2O]+ 209.048160 141.9
[M+HCOO]- 271.049101 165.8
[M+CH3COO]- 285.064751 185.4
[M+Na-2H]- 247.025566 150.1
[M]+ 226.05035142 152.1
[M]- 226.05144858 152.1
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.