CID 10082408

954239-11-3

Structural Information

Molecular Formula

C₁₁H₁₅FN₂O₂

SMILES

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

InChI

InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)

InChIKey

KKTBITIKAFIQJM-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-6-fluorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 226.11176 Da
Monoisotopic Mass: 1.9
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]+	227.119036	149.8
[M+Na]+	249.100978	157.2
[M-H]-	225.104484	152.2
[M+NH4]+	244.145583	167.7
[M+K]+	265.074918	155.4
[M+H-H2O]+	209.109020	143.0
[M+HCOO]-	271.109961	172.2
[M+CH3COO]-	285.125611	194.0
[M+Na-2H]-	247.086426	154.0
[M]+	226.11121142	148.3
[M]-	226.11230858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe