CID 546372

Tert-butyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)

InChIKey

VFEHOBXXLPHSOI-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 341
Patents: 227.0713 Da
Monoisotopic Mass: 3.6
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]+	228.078576	149.1
[M+Na]+	250.060518	157.3
[M-H]-	226.064024	153.1
[M+NH4]+	245.105123	168.4
[M+K]+	266.034458	154.2
[M+H-H2O]+	210.068560	144.4
[M+HCOO]-	272.069501	167.7
[M+CH3COO]-	286.085151	189.4
[M+Na-2H]-	248.045966	154.9
[M]+	227.07075142	152.3
[M]-	227.07184858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe