CID 16740546

877319-43-2

Structural Information

Molecular Formula

C₁₃H₁₆FNO₃

SMILES

CC(C)(C)OC(=O)NCC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C13H16FNO3/c1-13(2,3)18-12(17)15-8-11(16)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,15,17)

InChIKey

FFNLFZLNAMDWHP-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(4-fluorophenyl)-2-oxoethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 253.11142 Da
Monoisotopic Mass: 2.4
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]+	254.118696	156.2
[M+Na]+	276.100638	162.6
[M-H]-	252.104144	158.6
[M+NH4]+	271.145243	173.2
[M+K]+	292.074578	161.2
[M+H-H2O]+	236.108680	149.2
[M+HCOO]-	298.109621	177.0
[M+CH3COO]-	312.125271	196.5
[M+Na-2H]-	274.086086	159.7
[M]+	253.11087142	157.0
[M]-	253.11196858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe