CID 19790832

(1-bromo-3-methylbutan-2-yl)benzene

Structural Information

Molecular Formula
C11H15Br
SMILES
CC(C)C(CBr)C1=CC=CC=C1
InChI
InChI=1S/C11H15Br/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
KFIMHJPLUHYGGQ-UHFFFAOYSA-N
Compound name
(1-bromo-3-methylbutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.0357 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04298 141.3
[M+Na]+ 249.02492 144.7
[M+NH4]+ 244.06952 147.1
[M+K]+ 264.99886 144.1
[M-H]- 225.02842 142.6
[M+Na-2H]- 247.01037 145.6
[M]+ 226.03515 141.1
[M]- 226.03625 141.1
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

patents stripe