CID 202720

2-chloro-n-(2-phenylethyl)propanamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C(=O)NCCC1=CC=CC=C1)Cl
InChI
InChI=1S/C11H14ClNO/c1-9(12)11(14)13-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKey
YMKVLIVAWASLAU-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

211.07639 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.6
[M+Na]+ 234.06561 153.0
[M-H]- 210.06911 149.8
[M+NH4]+ 229.11021 165.8
[M+K]+ 250.03955 149.2
[M+H-H2O]+ 194.07365 141.2
[M+HCOO]- 256.07459 165.5
[M+CH3COO]- 270.09024 188.2
[M+Na-2H]- 232.05106 151.0
[M]+ 211.07584 148.0
[M]- 211.07694 148.0
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