CID 14912426

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

226.0357 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04298 145.8
[M+Na]+ 249.02492 156.1
[M-H]- 225.02842 152.0
[M+NH4]+ 244.06952 167.9
[M+K]+ 264.99886 145.5
[M+H-H2O]+ 209.03296 146.6
[M+HCOO]- 271.03390 164.8
[M+CH3COO]- 285.04955 188.2
[M+Na-2H]- 247.01037 153.2
[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

literature stripe

Patent stripe

patents stripe