CID 6439222

Enofelast

Structural Information

Molecular Formula

C₁₆H₁₅FO

SMILES

CC1=CC(=CC(=C1O)C)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FO/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(17)8-6-13/h3-10,18H,1-2H3/b4-3+

InChIKey

HJGJDFXTHQBVNV-ONEGZZNKSA-N

Compound name

4-[(E)-2-(4-fluorophenyl)ethenyl]-2,6-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 473
Patents: 242.11069 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.117966	153.1
[M+Na]+	265.099908	162.7
[M-H]-	241.103414	158.0
[M+NH4]+	260.144513	170.8
[M+K]+	281.073848	157.1
[M+H-H2O]+	225.107950	145.7
[M+HCOO]-	287.108891	174.8
[M+CH3COO]-	301.124541	193.3
[M+Na-2H]-	263.085356	156.3
[M]+	242.11014142	152.3
[M]-	242.11123858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe