CID 3088252

117238-50-3

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]+ 287.083326 164.5
[M+Na]+ 309.065268 175.1
[M-H]- 285.068774 172.3
[M+NH4]+ 304.109873 182.4
[M+K]+ 325.039208 169.8
[M+H-H2O]+ 269.073310 158.7
[M+HCOO]- 331.074251 182.2
[M+CH3COO]- 345.089901 177.6
[M+Na-2H]- 307.050716 168.6
[M]+ 286.07550142 170.1
[M]- 286.07659858 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.