CID 3088252

Alpha-(4-chlorophenyl)-3-ethyl-2-benzofuranmethanol

Structural Information

Molecular Formula
C17H15ClO2
SMILES
CCC1=C(OC2=CC=CC=C21)C(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H15ClO2/c1-2-13-14-5-3-4-6-15(14)20-17(13)16(19)11-7-9-12(18)10-8-11/h3-10,16,19H,2H2,1H3
InChIKey
LNPXKKVHOFQDMZ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3-ethyl-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07605 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08333 164.5
[M+Na]+ 309.06527 175.1
[M-H]- 285.06877 172.3
[M+NH4]+ 304.10987 182.4
[M+K]+ 325.03921 169.8
[M+H-H2O]+ 269.07331 158.7
[M+HCOO]- 331.07425 182.2
[M+CH3COO]- 345.08990 177.6
[M+Na-2H]- 307.05072 168.6
[M]+ 286.07550 170.1
[M]- 286.07660 170.1
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.