CID 146034994

1-bromo-3-(methoxymethoxy)-5-methylbenzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CC1=CC(=CC(=C1)Br)OCOC
InChI
InChI=1S/C9H11BrO2/c1-7-3-8(10)5-9(4-7)12-6-11-2/h3-5H,6H2,1-2H3
InChIKey
DWFLOOUFGGECDR-UHFFFAOYSA-N
Compound name
1-bromo-3-(methoxymethoxy)-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 139.7
[M+Na]+ 252.98347 151.9
[M-H]- 228.98697 146.4
[M+NH4]+ 248.02807 161.8
[M+K]+ 268.95741 142.0
[M+H-H2O]+ 212.99151 140.0
[M+HCOO]- 274.99245 162.1
[M+CH3COO]- 289.00810 187.9
[M+Na-2H]- 250.96892 147.5
[M]+ 229.99370 161.6
[M]- 229.99480 161.6
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.