CID 20312175

1490558-04-7

Structural Information

Molecular Formula
C12H10Cl2N2
SMILES
C1CC2=C(N(N=C2C1)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C12H10Cl2N2/c13-8-4-6-9(7-5-8)16-12(14)10-2-1-3-11(10)15-16/h4-7H,1-3H2
InChIKey
GMOFNHKUGGOHBQ-UHFFFAOYSA-N
Compound name
3-chloro-2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.02211 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02939 156.4
[M+Na]+ 275.01133 167.8
[M-H]- 251.01483 160.9
[M+NH4]+ 270.05593 176.7
[M+K]+ 290.98527 161.2
[M+H-H2O]+ 235.01937 149.0
[M+HCOO]- 297.02031 168.5
[M+CH3COO]- 311.03596 168.9
[M+Na-2H]- 272.99678 157.7
[M]+ 252.02156 158.6
[M]- 252.02266 158.6
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

patents stripe