CID 114772512

{[(1-bromo-2-methylpropan-2-yl)oxy]methyl}benzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
CC(C)(CBr)OCC1=CC=CC=C1
InChI
InChI=1S/C11H15BrO/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
XGAVCXXCAOITHZ-UHFFFAOYSA-N
Compound name
(1-bromo-2-methylpropan-2-yl)oxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03062 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 148.7
[M+Na]+ 265.01984 159.0
[M-H]- 241.02334 154.7
[M+NH4]+ 260.06444 170.0
[M+K]+ 280.99378 148.4
[M+H-H2O]+ 225.02788 149.1
[M+HCOO]- 287.02882 168.8
[M+CH3COO]- 301.04447 189.9
[M+Na-2H]- 263.00529 157.2
[M]+ 242.03007 168.8
[M]- 242.03117 168.8
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

No patent data available for this compound.