CID 11310479

1-bromo-2-(methoxymethoxy)benzene

Structural Information

Molecular Formula
C8H9BrO2
SMILES
COCOC1=CC=CC=C1Br
InChI
InChI=1S/C8H9BrO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2-5H,6H2,1H3
InChIKey
ODYFUQZVGLEJJC-UHFFFAOYSA-N
Compound name
1-bromo-2-(methoxymethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

215.97859 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98587 136.3
[M+Na]+ 238.96781 140.4
[M+NH4]+ 234.01241 141.7
[M+K]+ 254.94175 139.9
[M-H]- 214.97131 137.2
[M+Na-2H]- 236.95326 140.8
[M]+ 215.97804 136.0
[M]- 215.97914 136.0
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