CID 116491413

(2-bromo-1-cyclobutylethyl)benzene

Structural Information

Molecular Formula
C12H15Br
SMILES
C1CC(C1)C(CBr)C2=CC=CC=C2
InChI
InChI=1S/C12H15Br/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKey
XJYKCBIVZZJOFX-UHFFFAOYSA-N
Compound name
(2-bromo-1-cyclobutylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0357 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.042976 139.5
[M+Na]+ 261.024918 147.4
[M-H]- 237.028424 147.8
[M+NH4]+ 256.069523 154.6
[M+K]+ 276.998858 139.7
[M+H-H2O]+ 221.032960 134.8
[M+HCOO]- 283.033901 158.3
[M+CH3COO]- 297.049551 192.6
[M+Na-2H]- 259.010366 146.2
[M]+ 238.03515142 163.4
[M]- 238.03624858 163.4
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.