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]+ 269.024306 160.3
[M+Na]+ 291.006248 171.8
[M-H]- 267.009754 164.9
[M+NH4]+ 286.050853 180.1
[M+K]+ 306.980188 165.3
[M+H-H2O]+ 251.014290 153.4
[M+HCOO]- 313.015231 171.4
[M+CH3COO]- 327.030881 172.5
[M+Na-2H]- 288.991696 160.1
[M]+ 268.01648142 162.2
[M]- 268.01757858 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.