CID 3067859

2-benzofuranmethanol, alpha-(4-chlorophenyl)-4,6-dimethoxy-

Structural Information

Molecular Formula
C17H15ClO4
SMILES
COC1=CC2=C(C=C(O2)C(C3=CC=C(C=C3)Cl)O)C(=C1)OC
InChI
InChI=1S/C17H15ClO4/c1-20-12-7-14(21-2)13-9-16(22-15(13)8-12)17(19)10-3-5-11(18)6-4-10/h3-9,17,19H,1-2H3
InChIKey
RMNNIAMWALNYIB-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4,6-dimethoxy-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

318.0659 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.073176 170.0
[M+Na]+ 341.055118 181.1
[M-H]- 317.058624 178.2
[M+NH4]+ 336.099723 186.7
[M+K]+ 357.029058 177.3
[M+H-H2O]+ 301.063160 164.1
[M+HCOO]- 363.064101 188.1
[M+CH3COO]- 377.079751 203.3
[M+Na-2H]- 339.040566 173.7
[M]+ 318.06535142 178.9
[M]- 318.06644858 178.9
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

patents stripe