CID 360283

2-chloro-n-[2-methyl-6-(propan-2-yl)phenyl]acetamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC1=C(C(=CC=C1)C(C)C)NC(=O)CCl
InChI
InChI=1S/C12H16ClNO/c1-8(2)10-6-4-5-9(3)12(10)14-11(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKey
MELPBOXLVQNGPR-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.09204 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 150.1
[M+Na]+ 248.081258 157.9
[M-H]- 224.084764 153.8
[M+NH4]+ 243.125863 169.4
[M+K]+ 264.055198 154.0
[M+H-H2O]+ 208.089300 145.1
[M+HCOO]- 270.090241 168.6
[M+CH3COO]- 284.105891 193.5
[M+Na-2H]- 246.066706 152.6
[M]+ 225.09149142 152.6
[M]- 225.09258858 152.6
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

patents stripe