CID 18379608

1-bromo-3-(2-methoxyethoxy)benzene

Structural Information

Molecular Formula
C9H11BrO2
SMILES
COCCOC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H11BrO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3
InChIKey
CFUFZUWSBHTKRQ-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-methoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

229.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.001526 140.5
[M+Na]+ 252.983468 151.8
[M-H]- 228.986974 146.8
[M+NH4]+ 248.028073 162.3
[M+K]+ 268.957408 141.9
[M+H-H2O]+ 212.991510 140.6
[M+HCOO]- 274.992451 162.9
[M+CH3COO]- 289.008101 186.8
[M+Na-2H]- 250.968916 148.9
[M]+ 229.99370142 162.0
[M]- 229.99479858 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

No literature data available for this compound.

Patent stripe

patents stripe