CID 2384588

2-chloro-n-(3-ethylphenyl)acetamide

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CCC1=CC(=CC=C1)NC(=O)CCl
InChI
InChI=1S/C10H12ClNO/c1-2-8-4-3-5-9(6-8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey
IYOKUEWCRWBQQT-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

197.06075 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 141.3
[M+Na]+ 220.04997 149.3
[M-H]- 196.05347 144.9
[M+NH4]+ 215.09457 161.5
[M+K]+ 236.02391 145.4
[M+H-H2O]+ 180.05801 136.3
[M+HCOO]- 242.05895 161.5
[M+CH3COO]- 256.07460 185.4
[M+Na-2H]- 218.03542 146.8
[M]+ 197.06020 143.3
[M]- 197.06130 143.3
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

patents stripe