CID 209784

20380-99-8

Structural Information

Molecular Formula

C₁₃H₁₆FNO₃

SMILES

C1=CC(=CC=C1C(=O)CCC(=O)NCCCO)F

InChI

InChI=1S/C13H16FNO3/c14-11-4-2-10(3-5-11)12(17)6-7-13(18)15-8-1-9-16/h2-5,16H,1,6-9H2,(H,15,18)

InChIKey

ZYTVKAVUHFMTLH-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-N-(3-hydroxypropyl)-4-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 253.11142 Da
Monoisotopic Mass: 0.6
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]+	254.11870	157.0
[M+Na]+	276.10064	162.2
[M-H]-	252.10414	157.4
[M+NH4]+	271.14524	172.8
[M+K]+	292.07458	159.3
[M+H-H2O]+	236.10868	149.3
[M+HCOO]-	298.10962	177.7
[M+CH3COO]-	312.12527	195.0
[M+Na-2H]-	274.08609	159.0
[M]+	253.11087	156.4
[M]-	253.11197	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe