CID 4935500

98968-72-0

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1F

InChI

InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)

InChIKey

AUHNQFOFWVWFTH-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-fluorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 211.10086 Da
Monoisotopic Mass: 2.6
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]+	212.108136	145.5
[M+Na]+	234.090078	152.8
[M-H]-	210.093584	148.1
[M+NH4]+	229.134683	164.4
[M+K]+	250.064018	151.3
[M+H-H2O]+	194.098120	138.9
[M+HCOO]-	256.099061	167.5
[M+CH3COO]-	270.114711	188.4
[M+Na-2H]-	232.075526	151.1
[M]+	211.10031142	145.4
[M]-	211.10140858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe