CID 44185703

4-(boc-amino)-3-fluoro-phenol

Structural Information

Molecular Formula

C₁₁H₁₄FNO₃

SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)O)F

InChI

InChI=1S/C11H14FNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h4-6,14H,1-3H3,(H,13,15)

InChIKey

OFMBTCUVYCQPQI-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-fluoro-4-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 227.09576 Da
Monoisotopic Mass: 2.3
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]+	228.10304	148.5
[M+Na]+	250.08498	156.2
[M-H]-	226.08848	150.1
[M+NH4]+	245.12958	166.2
[M+K]+	266.05892	154.5
[M+H-H2O]+	210.09302	142.2
[M+HCOO]-	272.09396	169.2
[M+CH3COO]-	286.10961	189.2
[M+Na-2H]-	248.07043	153.0
[M]+	227.09521	148.4
[M]-	227.09631	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe