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 146.0
[M+Na]+ 249.02492 155.4
[M-H]- 225.02842 151.8
[M+NH4]+ 244.06952 167.7
[M+K]+ 264.99886 144.8
[M+H-H2O]+ 209.03296 146.2
[M+HCOO]- 271.03390 165.5
[M+CH3COO]- 285.04955 189.4
[M+Na-2H]- 247.01037 151.6
[M]+ 226.03515 163.9
[M]- 226.03625 163.9
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

patents stripe