CID 16413812

331460-26-5

Structural Information

Molecular Formula
C22H15FO3
SMILES
C1=CC=C(C=C1)C(=O)/C=C\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H15FO3/c23-19-11-9-18(10-12-19)22(25)26-20-13-6-16(7-14-20)8-15-21(24)17-4-2-1-3-5-17/h1-15H/b15-8-
InChIKey
UZKYPIWPGGIALQ-NVNXTCNLSA-N
Compound name
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10052 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10780 181.3
[M+Na]+ 369.08974 187.7
[M-H]- 345.09324 189.3
[M+NH4]+ 364.13434 193.4
[M+K]+ 385.06368 182.0
[M+H-H2O]+ 329.09778 170.7
[M+HCOO]- 391.09872 202.2
[M+CH3COO]- 405.11437 211.0
[M+Na-2H]- 367.07519 182.9
[M]+ 346.09997 180.8
[M]- 346.10107 180.8
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.