CID 532059

3-chloro-n-(4-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
COC1=CC=C(C=C1)NC(=O)CCCl
InChI
InChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
ZVNNQFDBJXKWOE-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

213.05565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 144.1
[M+Na]+ 236.04487 152.0
[M-H]- 212.04837 147.8
[M+NH4]+ 231.08947 163.6
[M+K]+ 252.01881 148.7
[M+H-H2O]+ 196.05291 138.9
[M+HCOO]- 258.05385 164.6
[M+CH3COO]- 272.06950 187.4
[M+Na-2H]- 234.03032 149.7
[M]+ 213.05510 147.6
[M]- 213.05620 147.6
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