CID 42920718

2-chloro-n-[2-(propan-2-yl)phenyl]propanamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC(C)C1=CC=CC=C1NC(=O)C(C)Cl
InChI
InChI=1S/C12H16ClNO/c1-8(2)10-6-4-5-7-11(10)14-12(15)9(3)13/h4-9H,1-3H3,(H,14,15)
InChIKey
HXYOWXKMMPIHRX-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-propan-2-ylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 150.5
[M+Na]+ 248.08126 157.1
[M-H]- 224.08476 154.0
[M+NH4]+ 243.12586 169.4
[M+K]+ 264.05520 153.7
[M+H-H2O]+ 208.08930 145.4
[M+HCOO]- 270.09024 168.1
[M+CH3COO]- 284.10589 193.2
[M+Na-2H]- 246.06671 152.5
[M]+ 225.09149 152.0
[M]- 225.09259 152.0
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