CID 164891045

1-bromo-3-methoxy-5-(methoxymethyl)benzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
COCC1=CC(=CC(=C1)Br)OC
InChI
InChI=1S/C9H11BrO2/c1-11-6-7-3-8(10)5-9(4-7)12-2/h3-5H,6H2,1-2H3
InChIKey
LEZIYMUYNSUDRQ-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxy-5-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99425 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.001526 139.7
[M+Na]+ 252.983468 151.9
[M-H]- 228.986974 146.4
[M+NH4]+ 248.028073 161.8
[M+K]+ 268.957408 142.0
[M+H-H2O]+ 212.991510 140.0
[M+HCOO]- 274.992451 162.1
[M+CH3COO]- 289.008101 187.9
[M+Na-2H]- 250.968916 147.5
[M]+ 229.99370142 161.6
[M]- 229.99479858 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.