CID 73553325

1463053-89-5

Structural Information

Molecular Formula

C₁₁H₁₃BrClNO₂

SMILES

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

InChI

InChI=1S/C11H13BrClNO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(13)9(8)12/h4-6H,1-3H3,(H,14,15)

InChIKey

JAAIGOMTMQKNDA-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-bromo-3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 304.9818 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]+	305.98908	158.4
[M+Na]+	327.97102	170.5
[M-H]-	303.97452	165.0
[M+NH4]+	323.01562	178.3
[M+K]+	343.94496	157.9
[M+H-H2O]+	287.97906	158.9
[M+HCOO]-	349.98000	174.5
[M+CH3COO]-	363.99565	199.9
[M+Na-2H]-	325.95647	164.4
[M]+	304.98125	180.1
[M]-	304.98235	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe