CID 4097272

2,2,2-trichloro-n-(4-isopropyl-phenyl)-acetamide

Structural Information

Molecular Formula
C11H12Cl3NO
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C11H12Cl3NO/c1-7(2)8-3-5-9(6-4-8)15-10(16)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKey
ZJEGONOETGSMGX-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.99844 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00572 160.7
[M+Na]+ 301.98766 173.4
[M+NH4]+ 297.03226 168.8
[M+K]+ 317.96160 166.4
[M-H]- 277.99116 161.9
[M+Na-2H]- 299.97311 166.5
[M]+ 278.99789 163.7
[M]- 278.99899 163.7
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