CID 579814

1-(2-bromoethoxy)-4-methoxybenzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
COC1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C9H11BrO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3
InChIKey
PRRJGZRMBVOTGG-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

148
Patents

229.99425 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 140.9
[M+Na]+ 252.98347 144.7
[M+NH4]+ 248.02807 146.1
[M+K]+ 268.95741 144.0
[M-H]- 228.98697 141.7
[M+Na-2H]- 250.96892 145.1
[M]+ 229.99370 140.5
[M]- 229.99480 140.5
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