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]+ 227.042976 146.0
[M+Na]+ 249.024918 155.4
[M-H]- 225.028424 151.8
[M+NH4]+ 244.069523 167.7
[M+K]+ 264.998858 144.8
[M+H-H2O]+ 209.032960 146.2
[M+HCOO]- 271.033901 165.5
[M+CH3COO]- 285.049551 189.4
[M+Na-2H]- 247.010366 151.6
[M]+ 226.03515142 163.9
[M]- 226.03624858 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