CID 3088247

Alpha-(4-chlorophenyl)-alpha,3-dimethyl-2-benzofuranmethanol

Structural Information

Molecular Formula
C17H15ClO2
SMILES
CC1=C(OC2=CC=CC=C12)C(C)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H15ClO2/c1-11-14-5-3-4-6-15(14)20-16(11)17(2,19)12-7-9-13(18)10-8-12/h3-10,19H,1-2H3
InChIKey
JYOYTMQUCUHFHT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07605 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08333 164.8
[M+Na]+ 309.06527 176.2
[M-H]- 285.06877 172.9
[M+NH4]+ 304.10987 182.9
[M+K]+ 325.03921 170.9
[M+H-H2O]+ 269.07331 159.5
[M+HCOO]- 331.07425 181.9
[M+CH3COO]- 345.08990 178.2
[M+Na-2H]- 307.05072 171.0
[M]+ 286.07550 170.6
[M]- 286.07660 170.6
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.