CID 81888

2-(4-chloro-2-methylphenoxy)acetamide

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)N
InChI
InChI=1S/C9H10ClNO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H2,11,12)
InChIKey
GHAWJVBLTIWITR-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

199.04001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 139.3
[M+Na]+ 222.029228 148.5
[M-H]- 198.032734 143.0
[M+NH4]+ 217.073833 159.3
[M+K]+ 238.003168 145.1
[M+H-H2O]+ 182.037270 134.6
[M+HCOO]- 244.038211 159.5
[M+CH3COO]- 258.053861 185.6
[M+Na-2H]- 220.014676 143.7
[M]+ 199.03946142 141.9
[M]- 199.04055858 141.9
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