CID 22078

2-(3-chlorophenoxy)propionamide

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC(C(=O)N)OC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H2,11,12)
InChIKey
QVTINYNCTADMES-UHFFFAOYSA-N
Compound name
2-(3-chlorophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
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 139.8
[M+Na]+ 222.02923 147.8
[M-H]- 198.03273 143.2
[M+NH4]+ 217.07383 159.4
[M+K]+ 238.00317 144.9
[M+H-H2O]+ 182.03727 134.9
[M+HCOO]- 244.03821 159.0
[M+CH3COO]- 258.05386 185.3
[M+Na-2H]- 220.01468 143.6
[M]+ 199.03946 141.3
[M]- 199.04056 141.3
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