CID 670477

2-chloro-n-(2-ethyl-6-methylphenyl)acetamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCC1=CC=CC(=C1NC(=O)CCl)C
InChI
InChI=1S/C11H14ClNO/c1-3-9-6-4-5-8(2)11(9)13-10(14)7-12/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKey
SMINYPCTNJDYGK-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-ethyl-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

86
Patents

211.07639 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 145.5
[M+Na]+ 234.065608 154.0
[M-H]- 210.069114 149.3
[M+NH4]+ 229.110213 165.4
[M+K]+ 250.039548 149.9
[M+H-H2O]+ 194.073650 140.6
[M+HCOO]- 256.074591 165.4
[M+CH3COO]- 270.090241 189.6
[M+Na-2H]- 232.051056 149.8
[M]+ 211.07584142 148.2
[M]- 211.07693858 148.2
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