CID 23474

N-(3-chloro-4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)Cl
InChI
InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)
InChIKey
WNOVNNUWOUKIOL-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
Patents

199.04001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 138.9
[M+Na]+ 222.02923 148.2
[M-H]- 198.03273 143.2
[M+NH4]+ 217.07383 159.3
[M+K]+ 238.00317 145.2
[M+H-H2O]+ 182.03727 134.2
[M+HCOO]- 244.03821 159.7
[M+CH3COO]- 258.05386 185.6
[M+Na-2H]- 220.01468 144.4
[M]+ 199.03946 142.4
[M]- 199.04056 142.4
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