CID 11601095

63806-71-3

Structural Information

Molecular Formula

C₉H₁₂ClNO₂S

SMILES

CC(C)(C)OC(=O)NC1=CC=C(S1)Cl

InChI

InChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)

InChIKey

SLZLJXFJTIAWMB-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-chlorothiophen-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 233.02773 Da
Monoisotopic Mass: 3.5
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]+	234.03501	152.3
[M+Na]+	256.01695	161.9
[M+NH4]+	251.06155	160.4
[M+K]+	271.99089	156.6
[M-H]-	232.02045	153.1
[M+Na-2H]-	254.00240	156.1
[M]+	233.02718	154.5
[M]-	233.02828	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe