CID 16073

Chlorbufam

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

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

InChI

InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)

InChIKey

ULBXWWGWDPVHAO-UHFFFAOYSA-N

Compound name

but-3-yn-2-yl N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1
References: 8688
Patents: 223.04001 Da
Monoisotopic Mass: 3.1
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]+	224.04729	145.6
[M+Na]+	246.02923	157.4
[M+NH4]+	241.07383	150.0
[M+K]+	262.00317	148.5
[M-H]-	222.03273	139.4
[M+Na-2H]-	244.01468	148.8
[M]+	223.03946	144.9
[M]-	223.04056	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe