CID 10857134

84467-19-6

Structural Information

Molecular Formula
C11H9Cl2N
SMILES
C1CC(C1)(C#N)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2N/c12-9-3-2-8(6-10(9)13)11(7-14)4-1-5-11/h2-3,6H,1,4-5H2
InChIKey
CTKUIZGFDSJHPY-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

225.0112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01848 137.1
[M+Na]+ 248.00042 149.2
[M-H]- 224.00392 142.8
[M+NH4]+ 243.04502 151.4
[M+K]+ 263.97436 145.0
[M+H-H2O]+ 208.00846 123.5
[M+HCOO]- 270.00940 148.1
[M+CH3COO]- 284.02505 201.2
[M+Na-2H]- 245.98587 142.9
[M]+ 225.01065 141.8
[M]- 225.01175 141.8
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