CID 59403809

Mefbet

Structural Information

Molecular Formula
C23H21F
SMILES
CC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CCC=C)F
InChI
InChI=1S/C23H21F/c1-3-4-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(2)7-11-19/h3,6-16H,1,4-5H2,2H3
InChIKey
DZHPTDVLWCYHST-UHFFFAOYSA-N
Compound name
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

316.16272 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17000 176.6
[M+Na]+ 339.15194 184.7
[M-H]- 315.15544 184.9
[M+NH4]+ 334.19654 191.0
[M+K]+ 355.12588 177.0
[M+H-H2O]+ 299.15998 166.4
[M+HCOO]- 361.16092 198.2
[M+CH3COO]- 375.17657 187.7
[M+Na-2H]- 337.13739 178.5
[M]+ 316.16217 175.7
[M]- 316.16327 175.7
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

patents stripe