CID 9885748

Ef-24

Structural Information

Molecular Formula
C19H15F2NO
SMILES
C\1NC/C(=C\C2=CC=CC=C2F)/C(=O)/C1=C/C3=CC=CC=C3F
InChI
InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
InChIKey
NIVYQYSNRUIFIF-KAVGSWPWSA-N
Compound name
(3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

71
References

41
Patents

311.11218 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11946 177.5
[M+Na]+ 334.10140 190.4
[M+NH4]+ 329.14600 183.8
[M+K]+ 350.07534 181.3
[M-H]- 310.10490 179.8
[M+Na-2H]- 332.08685 184.3
[M]+ 311.11163 179.7
[M]- 311.11273 179.7
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

patents stripe