CID 14026183

1-bromo-4-(2-methoxyethoxy)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

229.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 140.5
[M+Na]+ 252.98347 151.8
[M-H]- 228.98697 146.8
[M+NH4]+ 248.02807 162.3
[M+K]+ 268.95741 141.9
[M+H-H2O]+ 212.99151 140.6
[M+HCOO]- 274.99245 162.9
[M+CH3COO]- 289.00810 186.8
[M+Na-2H]- 250.96892 148.9
[M]+ 229.99370 162.0
[M]- 229.99480 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