CID 94918

2-chloro-n-ethyl-n-phenylacetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

197.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 141.5
[M+Na]+ 220.04997 148.7
[M-H]- 196.05347 146.3
[M+NH4]+ 215.09457 162.0
[M+K]+ 236.02391 146.2
[M+H-H2O]+ 180.05801 136.0
[M+HCOO]- 242.05895 162.2
[M+CH3COO]- 256.07460 187.8
[M+Na-2H]- 218.03542 147.0
[M]+ 197.06020 144.4
[M]- 197.06130 144.4
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