CID 61381814

1304083-48-4

Structural Information

Molecular Formula
C12H10Cl2N2O
SMILES
C1CC2C(=NN(C2=O)C3=C(C=C(C=C3)Cl)Cl)C1
InChI
InChI=1S/C12H10Cl2N2O/c13-7-4-5-11(9(14)6-7)16-12(17)8-2-1-3-10(8)15-16/h4-6,8H,1-3H2
InChIKey
ZNKBKOBMKVTKCH-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.01703 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02431 160.3
[M+Na]+ 291.00625 171.8
[M-H]- 267.00975 164.9
[M+NH4]+ 286.05085 180.1
[M+K]+ 306.98019 165.3
[M+H-H2O]+ 251.01429 153.4
[M+HCOO]- 313.01523 171.4
[M+CH3COO]- 327.03088 172.5
[M+Na-2H]- 288.99170 160.1
[M]+ 268.01648 162.2
[M]- 268.01758 162.2
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.