CID 26693

Chlorfenprop-methyl

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O₂

SMILES

COC(=O)C(CC1=CC=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3

InChIKey

YJKIALIXRCSISK-UHFFFAOYSA-N

Compound name

methyl 2-chloro-3-(4-chlorophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1671
Patents: 232.00578 Da
Monoisotopic Mass: 3.4
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]+	233.01306	144.0
[M+Na]+	254.99500	153.0
[M-H]-	230.99850	147.2
[M+NH4]+	250.03960	163.4
[M+K]+	270.96894	148.7
[M+H-H2O]+	215.00304	140.2
[M+HCOO]-	277.00398	157.5
[M+CH3COO]-	291.01963	188.2
[M+Na-2H]-	252.98045	147.6
[M]+	232.00523	148.7
[M]-	232.00633	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe