CID 6476898

2-[(e)-2-[3-[(e)-2-cyclohexa-2,4-dien-1-ylvinyl]-5-fluoro-phenyl]vinyl]benzoic acid

Structural Information

Molecular Formula
C23H19FO2
SMILES
C1C=CC=CC1/C=C/C2=CC(=CC(=C2)/C=C/C3=CC=CC=C3C(=O)O)F
InChI
InChI=1S/C23H19FO2/c24-21-15-18(11-10-17-6-2-1-3-7-17)14-19(16-21)12-13-20-8-4-5-9-22(20)23(25)26/h1-6,8-17H,7H2,(H,25,26)/b11-10+,13-12+
InChIKey
NLSSUDSTVLLUDQ-AQASXUMVSA-N
Compound name
2-[(E)-2-[3-[(E)-2-cyclohexa-2,4-dien-1-ylethenyl]-5-fluorophenyl]ethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1369 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14418 183.4
[M+Na]+ 369.12612 189.3
[M-H]- 345.12962 189.8
[M+NH4]+ 364.17072 195.3
[M+K]+ 385.10006 181.5
[M+H-H2O]+ 329.13416 173.3
[M+HCOO]- 391.13510 201.9
[M+CH3COO]- 405.15075 210.2
[M+Na-2H]- 367.11157 183.5
[M]+ 346.13635 179.6
[M]- 346.13745 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.