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
1
Annotation Hits

5
References

462
Patents

242.11069 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11797 153.1
[M+Na]+ 265.09991 162.7
[M-H]- 241.10341 158.0
[M+NH4]+ 260.14451 170.8
[M+K]+ 281.07385 157.1
[M+H-H2O]+ 225.10795 145.7
[M+HCOO]- 287.10889 174.8
[M+CH3COO]- 301.12454 193.3
[M+Na-2H]- 263.08536 156.3
[M]+ 242.11014 152.3
[M]- 242.11124 152.3
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.