CID 7130897

N-(2-acetylphenyl)-4-chlorobutanamide

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
CC(=O)C1=CC=CC=C1NC(=O)CCCCl
InChI
InChI=1S/C12H14ClNO2/c1-9(15)10-5-2-3-6-11(10)14-12(16)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)
InChIKey
RZVSAGPFKZLLTR-UHFFFAOYSA-N
Compound name
N-(2-acetylphenyl)-4-chlorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 152.4
[M+Na]+ 262.06052 159.5
[M-H]- 238.06402 155.8
[M+NH4]+ 257.10512 170.6
[M+K]+ 278.03446 155.5
[M+H-H2O]+ 222.06856 146.9
[M+HCOO]- 284.06950 171.4
[M+CH3COO]- 298.08515 193.5
[M+Na-2H]- 260.04597 155.6
[M]+ 239.07075 155.2
[M]- 239.07185 155.2
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.