CID 3088266

Alpha-(4-fluorophenyl)-7-methoxy-2-benzofuranmethanol

Structural Information

Molecular Formula
C16H13FO3
SMILES
COC1=CC=CC2=C1OC(=C2)C(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C16H13FO3/c1-19-13-4-2-3-11-9-14(20-16(11)13)15(18)10-5-7-12(17)8-6-10/h2-9,15,18H,1H3
InChIKey
KCCYXGIIXDJCOU-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08487 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09215 158.2
[M+Na]+ 295.07409 168.3
[M-H]- 271.07759 165.0
[M+NH4]+ 290.11869 175.6
[M+K]+ 311.04803 165.2
[M+H-H2O]+ 255.08213 150.9
[M+HCOO]- 317.08307 180.1
[M+CH3COO]- 331.09872 171.4
[M+Na-2H]- 293.05954 162.9
[M]+ 272.08432 161.6
[M]- 272.08542 161.6
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.