CID 92262

4-hydroxychlorpropham

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₃

SMILES

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

InChI

InChI=1S/C10H12ClNO3/c1-6(2)15-10(14)12-7-3-4-9(13)8(11)5-7/h3-6,13H,1-2H3,(H,12,14)

InChIKey

LODWUFQKCTUNBU-UHFFFAOYSA-N

Compound name

propan-2-yl N-(3-chloro-4-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 229.05057 Da
Monoisotopic Mass: 3.2
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]+	230.05785	146.9
[M+Na]+	252.03979	155.1
[M-H]-	228.04329	149.7
[M+NH4]+	247.08439	165.3
[M+K]+	268.01373	152.0
[M+H-H2O]+	212.04783	142.2
[M+HCOO]-	274.04877	165.2
[M+CH3COO]-	288.06442	188.4
[M+Na-2H]-	250.02524	150.1
[M]+	229.05002	149.7
[M]-	229.05112	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe