CID 1799099

2-(2-bromoethoxy)anisole

Structural Information

Molecular Formula
C9H11BrO2
SMILES
COC1=CC=CC=C1OCCBr
InChI
InChI=1S/C9H11BrO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3
InChIKey
PBRPKYRJVDJZTF-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

229.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 140.5
[M+Na]+ 252.98347 151.8
[M-H]- 228.98697 146.8
[M+NH4]+ 248.02807 162.3
[M+K]+ 268.95741 141.9
[M+H-H2O]+ 212.99151 140.6
[M+HCOO]- 274.99245 162.9
[M+CH3COO]- 289.00810 186.8
[M+Na-2H]- 250.96892 148.9
[M]+ 229.99370 162.0
[M]- 229.99480 162.0
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