CID 4169

Metolachlor

Structural Information

Molecular Formula
C15H22ClNO2
SMILES
CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
InChI
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
InChIKey
WVQBLGZPHOPPFO-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

717
References

37092
Patents

283.1339 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14118 165.8
[M+Na]+ 306.12312 177.5
[M+NH4]+ 301.16772 173.3
[M+K]+ 322.09706 171.0
[M-H]- 282.12662 168.0
[M+Na-2H]- 304.10857 170.8
[M]+ 283.13335 168.3
[M]- 283.13445 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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