CID 2757254

25216-74-4

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

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

InChI

InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)

InChIKey

VDFBCTSISJDKNW-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-bromophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 384
Patents: 271.02078 Da
Monoisotopic Mass: 3.8
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]+	272.02806	151.9
[M+Na]+	294.01000	153.8
[M+NH4]+	289.05460	155.9
[M+K]+	309.98394	154.7
[M-H]-	270.01350	151.9
[M+Na-2H]-	291.99545	154.8
[M]+	271.02023	150.9
[M]-	271.02133	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe