CID 6477991

3,5-bis(4-fluorobenzylidene)-4-piperidinone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 172.6
[M+Na]+ 334.10140 179.7
[M-H]- 310.10490 176.4
[M+NH4]+ 329.14600 184.8
[M+K]+ 350.07534 171.2
[M+H-H2O]+ 294.10944 161.5
[M+HCOO]- 356.11038 188.0
[M+CH3COO]- 370.12603 181.8
[M+Na-2H]- 332.08685 172.7
[M]+ 311.11163 163.7
[M]- 311.11273 163.7
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

No patent data available for this compound.