CID 264645

2-chloro-n-(4-methylphenyl)propanamide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CC1=CC=C(C=C1)NC(=O)C(C)Cl
InChI
InChI=1S/C10H12ClNO/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)
InChIKey
FTKDWGYLOVAMPG-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 141.3
[M+Na]+ 220.049968 149.0
[M-H]- 196.053474 145.0
[M+NH4]+ 215.094573 161.4
[M+K]+ 236.023908 145.6
[M+H-H2O]+ 180.058010 136.4
[M+HCOO]- 242.058951 160.5
[M+CH3COO]- 256.074601 186.3
[M+Na-2H]- 218.035416 145.6
[M]+ 197.06020142 142.7
[M]- 197.06129858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.