CID 11790890

361548-95-0

Structural Information

Molecular Formula

C₁₁H₁₅FN₂O₂

SMILES

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

InChI

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

InChIKey

VWFNJRUKTFGZJN-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-4-fluorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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]+	227.11904	150.3
[M+Na]+	249.10098	159.2
[M+NH4]+	244.14558	156.4
[M+K]+	265.07492	155.1
[M-H]-	225.10448	150.3
[M+Na-2H]-	247.08643	154.6
[M]+	226.11121	151.2
[M]-	226.11231	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe