CID 54837

82158-35-8

Structural Information

Molecular Formula
C17H15ClO3
SMILES
CC(C1=CC=C(C=C1)Cl)(C2=CC3=C(O2)C(=CC=C3)OC)O
InChI
InChI=1S/C17H15ClO3/c1-17(19,12-6-8-13(18)9-7-12)15-10-11-4-3-5-14(20-2)16(11)21-15/h3-10,19H,1-2H3
InChIKey
WBPICCPEFYYUAY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.07098 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07826 167.8
[M+Na]+ 325.06020 179.0
[M-H]- 301.06370 175.9
[M+NH4]+ 320.10480 185.2
[M+K]+ 341.03414 174.4
[M+H-H2O]+ 285.06824 162.3
[M+HCOO]- 347.06918 185.1
[M+CH3COO]- 361.08483 199.5
[M+Na-2H]- 323.04565 174.2
[M]+ 302.07043 175.0
[M]- 302.07153 175.0
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