CID 2740707

1-acetyl-4-(2',4'-difluorobenzoyl)piperidine

Structural Information

Molecular Formula

C₁₄H₁₅F₂NO₂

SMILES

CC(=O)N1CCC(CC1)C(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C14H15F2NO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3

InChIKey

UGPWQEIGJWVJDR-UHFFFAOYSA-N

Compound name

1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 132
Patents: 267.1071 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]+	268.11438	158.3
[M+Na]+	290.09632	164.8
[M-H]-	266.09982	160.6
[M+NH4]+	285.14092	173.2
[M+K]+	306.07026	161.3
[M+H-H2O]+	250.10436	148.7
[M+HCOO]-	312.10530	173.7
[M+CH3COO]-	326.12095	198.1
[M+Na-2H]-	288.08177	157.7
[M]+	267.10655	152.7
[M]-	267.10765	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe