CID 3088261

5-bromo-alpha-(3,4,5-trimethoxyphenyl)-2-benzofuranmethanol

Structural Information

Molecular Formula
C18H17BrO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(O2)C=CC(=C3)Br)O
InChI
InChI=1S/C18H17BrO5/c1-21-15-8-11(9-16(22-2)18(15)23-3)17(20)14-7-10-6-12(19)4-5-13(10)24-14/h4-9,17,20H,1-3H3
InChIKey
GKZXOCRYWIBKOB-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.02594 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.03322 184.4
[M+Na]+ 415.01516 196.8
[M-H]- 391.01866 194.9
[M+NH4]+ 410.05976 200.9
[M+K]+ 430.98910 187.7
[M+H-H2O]+ 375.02320 183.5
[M+HCOO]- 437.02414 204.1
[M+CH3COO]- 451.03979 214.2
[M+Na-2H]- 413.00061 187.9
[M]+ 392.02539 210.9
[M]- 392.02649 210.9
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.