CID 19775590

61023-75-4

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂N

SMILES

C1CCC(C1)(C#N)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H11Cl2N/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2

InChIKey

RVLMAXHTTGFOID-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenyl)cyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 239.02686 Da
Monoisotopic Mass: 4.3
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]+	240.03414	154.5
[M+Na]+	262.01608	167.2
[M-H]-	238.01958	159.8
[M+NH4]+	257.06068	175.1
[M+K]+	277.99002	157.8
[M+H-H2O]+	222.02412	143.7
[M+HCOO]-	284.02506	165.4
[M+CH3COO]-	298.04071	166.1
[M+Na-2H]-	260.00153	157.1
[M]+	239.02631	150.0
[M]-	239.02741	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe