CID 3067863

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

Structural Information

Molecular Formula
C16H13ClO3
SMILES
COC1=CC=CC2=C1OC(=C2)C(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H13ClO3/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
BZOIBOMFRASZLR-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.05533 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06261 161.3
[M+Na]+ 311.04455 177.8
[M+NH4]+ 306.08915 170.7
[M+K]+ 327.01849 171.8
[M-H]- 287.04805 167.2
[M+Na-2H]- 309.03000 169.5
[M]+ 288.05478 165.9
[M]- 288.05588 165.9
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