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
9
Annotation Hits

722
References

42482
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 166.4
[M+Na]+ 306.12312 173.0
[M-H]- 282.12662 171.1
[M+NH4]+ 301.16772 183.9
[M+K]+ 322.09706 170.4
[M+H-H2O]+ 266.13116 160.4
[M+HCOO]- 328.13210 184.7
[M+CH3COO]- 342.14775 207.9
[M+Na-2H]- 304.10857 166.7
[M]+ 283.13335 172.8
[M]- 283.13445 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.