CID 4931

Propachlor

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CCl

InChI

InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

MFOUDYKPLGXPGO-UHFFFAOYSA-N

Compound name

2-chloro-N-phenyl-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 75
References: 27399
Patents: 211.07639 Da
Monoisotopic Mass: 2.2
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]+	212.08367	145.7
[M+Na]+	234.06561	158.0
[M+NH4]+	229.11021	154.6
[M+K]+	250.03955	151.5
[M-H]-	210.06911	148.5
[M+Na-2H]-	232.05106	152.7
[M]+	211.07584	148.5
[M]-	211.07694	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe