CID 10465919

1-bromo-4-(methoxymethoxy)benzene

Structural Information

Molecular Formula
C8H9BrO2
SMILES
COCOC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H9BrO2/c1-10-6-11-8-4-2-7(9)3-5-8/h2-5H,6H2,1H3
InChIKey
BDRBSCRINVJXKW-UHFFFAOYSA-N
Compound name
1-bromo-4-(methoxymethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

215.97859 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.985866 135.7
[M+Na]+ 238.967808 147.5
[M-H]- 214.971314 142.3
[M+NH4]+ 234.012413 158.1
[M+K]+ 254.941748 137.9
[M+H-H2O]+ 198.975850 136.1
[M+HCOO]- 260.976791 158.5
[M+CH3COO]- 274.992441 184.0
[M+Na-2H]- 236.953256 144.7
[M]+ 215.97804142 157.0
[M]- 215.97913858 157.0
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