CID 759107

4'-anilino-2,2,2-trichloroacetanilide

Structural Information

Molecular Formula
C14H11Cl3N2O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H11Cl3N2O/c15-14(16,17)13(20)19-12-8-6-11(7-9-12)18-10-4-2-1-3-5-10/h1-9,18H,(H,19,20)
InChIKey
DXWLHYHAGCVSIA-UHFFFAOYSA-N
Compound name
N-(4-anilinophenyl)-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

327.99368 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00096 170.9
[M+Na]+ 350.98290 178.4
[M-H]- 326.98640 175.5
[M+NH4]+ 346.02750 185.5
[M+K]+ 366.95684 171.4
[M+H-H2O]+ 310.99094 165.5
[M+HCOO]- 372.99188 180.0
[M+CH3COO]- 387.00753 207.0
[M+Na-2H]- 348.96835 175.8
[M]+ 327.99313 172.6
[M]- 327.99423 172.6
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