CID 3088247

117238-43-4

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]+ 287.083326 164.8
[M+Na]+ 309.065268 176.2
[M-H]- 285.068774 172.9
[M+NH4]+ 304.109873 182.9
[M+K]+ 325.039208 170.9
[M+H-H2O]+ 269.073310 159.5
[M+HCOO]- 331.074251 181.9
[M+CH3COO]- 345.089901 178.2
[M+Na-2H]- 307.050716 171.0
[M]+ 286.07550142 170.6
[M]- 286.07659858 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.