CID 28667

2-chloro-n-(3-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
COC1=CC=CC(=C1)NC(=O)CCl
InChI
InChI=1S/C9H10ClNO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
JJNAIBJFYFWTIA-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

199.04001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.4
[M+Na]+ 222.02923 147.8
[M-H]- 198.03273 143.2
[M+NH4]+ 217.07383 159.4
[M+K]+ 238.00317 144.7
[M+H-H2O]+ 182.03727 134.4
[M+HCOO]- 244.03821 160.2
[M+CH3COO]- 258.05386 184.4
[M+Na-2H]- 220.01468 145.5
[M]+ 199.03946 142.5
[M]- 199.04056 142.5
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