CID 14288506

2-bromo-1-(4-methoxyphenyl)ethanol

Structural Information

Molecular Formula
C9H11BrO2
SMILES
COC1=CC=C(C=C1)C(CBr)O
InChI
InChI=1S/C9H11BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3
InChIKey
JJLBVKRIOOBGPP-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

229.99425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 142.1
[M+Na]+ 252.98347 152.7
[M-H]- 228.98697 147.2
[M+NH4]+ 248.02807 163.2
[M+K]+ 268.95741 142.3
[M+H-H2O]+ 212.99151 142.4
[M+HCOO]- 274.99245 162.1
[M+CH3COO]- 289.00810 185.1
[M+Na-2H]- 250.96892 148.7
[M]+ 229.99370 161.2
[M]- 229.99480 161.2
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