CID 65008481

5-(4-bromophenyl)spiro(2.3)hexane-5-carbonitrile

Structural Information

Molecular Formula
C13H12BrN
SMILES
C1CC12CC(C2)(C#N)C3=CC=C(C=C3)Br
InChI
InChI=1S/C13H12BrN/c14-11-3-1-10(2-4-11)13(9-15)7-12(8-13)5-6-12/h1-4H,5-8H2
InChIKey
KHHWYHKEBNYURX-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)spiro[2.3]hexane-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.01532 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02260 143.4
[M+Na]+ 284.00454 146.3
[M+NH4]+ 279.04914 146.8
[M+K]+ 299.97848 142.2
[M-H]- 260.00804 144.0
[M+Na-2H]- 281.98999 149.2
[M]+ 261.01477 142.9
[M]- 261.01587 142.9
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

No patent data available for this compound.