CID 45918501

1-(2-bromoethoxy)-4-(propan-2-yloxy)benzene

Structural Information

Molecular Formula
C11H15BrO2
SMILES
CC(C)OC1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C11H15BrO2/c1-9(2)14-11-5-3-10(4-6-11)13-8-7-12/h3-6,9H,7-8H2,1-2H3
InChIKey
ONUYGJXJVGQLLD-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-4-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02554 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.032816 150.6
[M+Na]+ 281.014758 160.8
[M-H]- 257.018264 156.6
[M+NH4]+ 276.059363 171.2
[M+K]+ 296.988698 150.8
[M+H-H2O]+ 241.022800 150.3
[M+HCOO]- 303.023741 171.3
[M+CH3COO]- 317.039391 193.2
[M+Na-2H]- 279.000206 156.6
[M]+ 258.02499142 172.1
[M]- 258.02608858 172.1
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.