CID 129032968

1-(2,3-dichlorophenyl)cyclobutanecarbonitrile

Structural Information

Molecular Formula
C11H9Cl2N
SMILES
C1CC(C1)(C#N)C2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2N/c12-9-4-1-3-8(10(9)13)11(7-14)5-2-6-11/h1,3-4H,2,5-6H2
InChIKey
MUPGUOJKERBECC-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 135.6
[M+Na]+ 248.00042 146.5
[M+NH4]+ 243.04502 140.3
[M+K]+ 263.97436 136.0
[M-H]- 224.00392 130.7
[M+Na-2H]- 245.98587 141.4
[M]+ 225.01065 134.9
[M]- 225.01175 134.9
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