CID 11959054

1-bromo-4-(2,2-dimethylpropyl)benzene

Structural Information

Molecular Formula
C11H15Br
SMILES
CC(C)(C)CC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H15Br/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3
InChIKey
WTZCNAALDORGPB-UHFFFAOYSA-N
Compound name
1-bromo-4-(2,2-dimethylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

226.0357 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.042976 144.8
[M+Na]+ 249.024918 156.1
[M-H]- 225.028424 151.2
[M+NH4]+ 244.069523 167.2
[M+K]+ 264.998858 145.1
[M+H-H2O]+ 209.032960 145.7
[M+HCOO]- 271.033901 164.7
[M+CH3COO]- 285.049551 188.5
[M+Na-2H]- 247.010366 152.7
[M]+ 226.03515142 163.8
[M]- 226.03624858 163.8
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