CID 244052

2-(4-chloro-3-methylphenoxy)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

199.04001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.0
[M+Na]+ 222.02923 151.7
[M+NH4]+ 217.07383 147.3
[M+K]+ 238.00317 145.6
[M-H]- 198.03273 141.1
[M+Na-2H]- 220.01468 145.3
[M]+ 199.03946 141.5
[M]- 199.04056 141.5
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