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]+ 239.04298 139.5
[M+Na]+ 261.02492 147.4
[M-H]- 237.02842 147.8
[M+NH4]+ 256.06952 154.6
[M+K]+ 276.99886 139.7
[M+H-H2O]+ 221.03296 134.8
[M+HCOO]- 283.03390 158.3
[M+CH3COO]- 297.04955 192.6
[M+Na-2H]- 259.01037 146.2
[M]+ 238.03515 163.4
[M]- 238.03625 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.