CID 3597908

4'-chloro-2,2,2'-trimethylpropionanilide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C(C)(C)C
InChI
InChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKey
ZNOIVABHKZATSH-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.09204 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 149.9
[M+Na]+ 248.08126 158.5
[M-H]- 224.08476 154.1
[M+NH4]+ 243.12586 169.5
[M+K]+ 264.05520 154.7
[M+H-H2O]+ 208.08930 145.5
[M+HCOO]- 270.09024 167.9
[M+CH3COO]- 284.10589 192.3
[M+Na-2H]- 246.06671 154.4
[M]+ 225.09149 152.5
[M]- 225.09259 152.5
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