CID 137699704

1-(2-chlorophenyl)-2-(ethylamino)propan-1-one

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCNC(C)C(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C11H14ClNO/c1-3-13-8(2)11(14)9-6-4-5-7-10(9)12/h4-8,13H,3H2,1-2H3
InChIKey
SSLLMDUMCHGPJN-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-(ethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 145.8
[M+Na]+ 234.065608 153.0
[M-H]- 210.069114 149.3
[M+NH4]+ 229.110213 165.2
[M+K]+ 250.039548 149.4
[M+H-H2O]+ 194.073650 140.7
[M+HCOO]- 256.074591 164.7
[M+CH3COO]- 270.090241 190.0
[M+Na-2H]- 232.051056 149.6
[M]+ 211.07584142 147.6
[M]- 211.07693858 147.6
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.