CID 11138432

(1-bromo-2-methylpropan-2-yl)benzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC(C)(CBr)C1=CC=CC=C1
InChI
InChI=1S/C10H13Br/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
VFTCRBRKJMKHGD-UHFFFAOYSA-N
Compound name
(1-bromo-2-methylpropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

212.02007 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 140.8
[M+Na]+ 235.00929 151.6
[M-H]- 211.01279 147.1
[M+NH4]+ 230.05389 163.4
[M+K]+ 250.98323 140.9
[M+H-H2O]+ 195.01733 141.7
[M+HCOO]- 257.01827 161.1
[M+CH3COO]- 271.03392 185.3
[M+Na-2H]- 232.99474 149.9
[M]+ 212.01952 159.3
[M]- 212.02062 159.3
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