CID 12644

Drc 3321

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₂

SMILES

CCC1=CC(=C(C(=C1Cl)C)Cl)OC(=O)NC

InChI

InChI=1S/C11H13Cl2NO2/c1-4-7-5-8(16-11(15)14-3)10(13)6(2)9(7)12/h5H,4H2,1-3H3,(H,14,15)

InChIKey

AZXKDALZKPSQGB-UHFFFAOYSA-N

Compound name

(2,4-dichloro-5-ethyl-3-methylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03235 Da
Monoisotopic Mass: 3.9
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]+	262.03963	153.4
[M+Na]+	284.02157	164.1
[M-H]-	260.02507	157.3
[M+NH4]+	279.06617	172.4
[M+K]+	299.99551	159.2
[M+H-H2O]+	244.02961	149.7
[M+HCOO]-	306.03055	168.4
[M+CH3COO]-	320.04620	197.9
[M+Na-2H]-	282.00702	155.7
[M]+	261.03180	159.3
[M]-	261.03290	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe