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: 5
Patents: 252.02211 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.029386	156.4
[M+Na]+	275.011328	167.8
[M-H]-	251.014834	160.9
[M+NH4]+	270.055933	176.7
[M+K]+	290.985268	161.2
[M+H-H2O]+	235.019370	149.0
[M+HCOO]-	297.020311	168.5
[M+CH3COO]-	311.035961	168.9
[M+Na-2H]-	272.996776	157.7
[M]+	252.02156142	158.6
[M]-	252.02265858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe