CID 3088246

Alpha-(4-chlorophenyl)-6-methoxy-2-benzofuranmethanol

Structural Information

Molecular Formula
C16H13ClO3
SMILES
COC1=CC2=C(C=C1)C=C(O2)C(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H13ClO3/c1-19-13-7-4-11-8-15(20-14(11)9-13)16(18)10-2-5-12(17)6-3-10/h2-9,16,18H,1H3
InChIKey
WBZANYWJZPBHQC-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 162.5
[M+Na]+ 311.04455 173.4
[M-H]- 287.04805 170.5
[M+NH4]+ 306.08915 180.2
[M+K]+ 327.01849 169.0
[M+H-H2O]+ 271.05259 156.8
[M+HCOO]- 333.05353 180.8
[M+CH3COO]- 347.06918 175.9
[M+Na-2H]- 309.03000 167.3
[M]+ 288.05478 169.3
[M]- 288.05588 169.3
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.