CID 12900989

1-bromo-4-(2-methylbutan-2-yl)benzene

Structural Information

Molecular Formula
C11H15Br
SMILES
CCC(C)(C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H15Br/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3
InChIKey
YCXZAZLODXDXSZ-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-methylbutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

226.0357 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.042976 144.6
[M+Na]+ 249.024918 155.9
[M-H]- 225.028424 151.0
[M+NH4]+ 244.069523 166.9
[M+K]+ 264.998858 144.9
[M+H-H2O]+ 209.032960 145.5
[M+HCOO]- 271.033901 164.5
[M+CH3COO]- 285.049551 189.1
[M+Na-2H]- 247.010366 152.5
[M]+ 226.03515142 163.7
[M]- 226.03624858 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe