CID 27385

15560-65-3

Structural Information

Molecular Formula

C₁₂H₁₆FNO₃

SMILES

CCCCOC1=C(C=C(C=C1)CC(=O)NO)F

InChI

InChI=1S/C12H16FNO3/c1-2-3-6-17-11-5-4-9(7-10(11)13)8-12(15)14-16/h4-5,7,16H,2-3,6,8H2,1H3,(H,14,15)

InChIKey

TUQVWHPFYRZAOJ-UHFFFAOYSA-N

Compound name

2-(4-butoxy-3-fluorophenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.11142 Da
Monoisotopic Mass: 2.0
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]+	242.11870	152.9
[M+Na]+	264.10064	159.5
[M-H]-	240.10414	153.8
[M+NH4]+	259.14524	169.7
[M+K]+	280.07458	157.0
[M+H-H2O]+	224.10868	145.5
[M+HCOO]-	286.10962	174.8
[M+CH3COO]-	300.12527	193.1
[M+Na-2H]-	262.08609	156.0
[M]+	241.11087	153.7
[M]-	241.11197	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe