CID 83001161

2-bromo-1-(2,5-dimethoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C10H13BrO3
SMILES
COC1=CC(=C(C=C1)OC)C(CBr)O
InChI
InChI=1S/C10H13BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6H2,1-2H3
InChIKey
BFNGHCXVSDJCDR-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,5-dimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00482 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01210 148.6
[M+Na]+ 282.99404 159.5
[M-H]- 258.99754 153.7
[M+NH4]+ 278.03864 168.7
[M+K]+ 298.96798 149.3
[M+H-H2O]+ 243.00208 148.5
[M+HCOO]- 305.00302 168.4
[M+CH3COO]- 319.01867 190.9
[M+Na-2H]- 280.97949 154.0
[M]+ 260.00427 169.7
[M]- 260.00537 169.7
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.