CID 1988

Acetochlor

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C
InChI
InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChIKey
VTNQPKFIQCLBDU-UHFFFAOYSA-N
Compound name
2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

384
References

37655
Patents

269.11826 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.125536 162.0
[M+Na]+ 292.107478 169.3
[M-H]- 268.110984 166.8
[M+NH4]+ 287.152083 180.2
[M+K]+ 308.081418 166.5
[M+H-H2O]+ 252.115520 156.1
[M+HCOO]- 314.116461 181.6
[M+CH3COO]- 328.132111 204.1
[M+Na-2H]- 290.092926 164.0
[M]+ 269.11771142 168.6
[M]- 269.11880858 168.6
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

patents stripe