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 157.6
[M+Na]+ 301.98766 165.7
[M-H]- 277.99116 159.7
[M+NH4]+ 297.03226 174.9
[M+K]+ 317.96160 160.0
[M+H-H2O]+ 261.99570 154.4
[M+HCOO]- 323.99664 164.5
[M+CH3COO]- 338.01229 198.7
[M+Na-2H]- 299.97311 160.3
[M]+ 278.99789 160.1
[M]- 278.99899 160.1
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