CID 124706599

(4-bromo-2,6-dimethoxyphenyl)methanol

Structural Information

Molecular Formula
C9H11BrO3
SMILES
COC1=CC(=CC(=C1CO)OC)Br
InChI
InChI=1S/C9H11BrO3/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4,11H,5H2,1-2H3
InChIKey
DUOUGYRQMLZWNC-UHFFFAOYSA-N
Compound name
(4-bromo-2,6-dimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

245.98917 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99645 142.6
[M+Na]+ 268.97839 155.0
[M-H]- 244.98189 148.2
[M+NH4]+ 264.02299 163.6
[M+K]+ 284.95233 144.7
[M+H-H2O]+ 228.98643 142.8
[M+HCOO]- 290.98737 163.7
[M+CH3COO]- 305.00302 188.4
[M+Na-2H]- 266.96384 149.2
[M]+ 245.98862 164.4
[M]- 245.98972 164.4
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