CID 11414102

84162-80-1

Structural Information

Molecular Formula

C₁₃H₁₃F₂NO₂

SMILES

C1CN(CCC1C(=O)C2=C(C=C(C=C2)F)F)C=O

InChI

InChI=1S/C13H13F2NO2/c14-10-1-2-11(12(15)7-10)13(18)9-3-5-16(8-17)6-4-9/h1-2,7-9H,3-6H2

InChIKey

YTHQJLIGWJTKPG-UHFFFAOYSA-N

Compound name

4-(2,4-difluorobenzoyl)piperidine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 253.09143 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.098706	153.8
[M+Na]+	276.080648	160.9
[M-H]-	252.084154	156.1
[M+NH4]+	271.125253	169.3
[M+K]+	292.054588	157.2
[M+H-H2O]+	236.088690	144.2
[M+HCOO]-	298.089631	170.5
[M+CH3COO]-	312.105281	194.8
[M+Na-2H]-	274.066096	154.9
[M]+	253.09088142	148.5
[M]-	253.09197858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe