CID 129955401

1-(2-bromo-4-chlorophenyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C11H9BrClN
SMILES
C1CC(C1)(C#N)C2=C(C=C(C=C2)Cl)Br
InChI
InChI=1S/C11H9BrClN/c12-10-6-8(13)2-3-9(10)11(7-14)4-1-5-11/h2-3,6H,1,4-5H2
InChIKey
SFJXJGXFBYGQKX-UHFFFAOYSA-N
Compound name
1-(2-bromo-4-chlorophenyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9607 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.967976 134.3
[M+Na]+ 291.949918 148.9
[M-H]- 267.953424 141.8
[M+NH4]+ 286.994523 150.1
[M+K]+ 307.923858 138.2
[M+H-H2O]+ 251.957960 125.9
[M+HCOO]- 313.958901 150.0
[M+CH3COO]- 327.974551 205.4
[M+Na-2H]- 289.935366 142.3
[M]+ 268.96015142 154.3
[M]- 268.96124858 154.3
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

No patent data available for this compound.