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]+ 269.96798 134.3
[M+Na]+ 291.94992 148.9
[M-H]- 267.95342 141.8
[M+NH4]+ 286.99452 150.1
[M+K]+ 307.92386 138.2
[M+H-H2O]+ 251.95796 125.9
[M+HCOO]- 313.95890 150.0
[M+CH3COO]- 327.97455 205.4
[M+Na-2H]- 289.93537 142.3
[M]+ 268.96015 154.3
[M]- 268.96125 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.