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]+ 198.06803 141.3
[M+Na]+ 220.04997 149.0
[M-H]- 196.05347 145.0
[M+NH4]+ 215.09457 161.4
[M+K]+ 236.02391 145.6
[M+H-H2O]+ 180.05801 136.4
[M+HCOO]- 242.05895 160.5
[M+CH3COO]- 256.07460 186.3
[M+Na-2H]- 218.03542 145.6
[M]+ 197.06020 142.7
[M]- 197.06130 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.