CID 3067859

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

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

4
Patents

318.0659 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07318 170.0
[M+Na]+ 341.05512 181.1
[M-H]- 317.05862 178.2
[M+NH4]+ 336.09972 186.7
[M+K]+ 357.02906 177.3
[M+H-H2O]+ 301.06316 164.1
[M+HCOO]- 363.06410 188.1
[M+CH3COO]- 377.07975 203.3
[M+Na-2H]- 339.04057 173.7
[M]+ 318.06535 178.9
[M]- 318.06645 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