CID 2887333

4-methyl-n-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]benzamide

Structural Information

Molecular Formula
C16H14Cl3FN2O
SMILES
CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)F
InChI
InChI=1S/C16H14Cl3FN2O/c1-10-2-4-11(5-3-10)14(23)22-15(16(17,18)19)21-13-8-6-12(20)7-9-13/h2-9,15,21H,1H3,(H,22,23)
InChIKey
TVNFNHSVTYWGHR-UHFFFAOYSA-N
Compound name
4-methyl-N-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.01556 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02284 180.4
[M+Na]+ 397.00478 187.8
[M-H]- 373.00828 183.9
[M+NH4]+ 392.04938 193.4
[M+K]+ 412.97872 180.5
[M+H-H2O]+ 357.01282 174.2
[M+HCOO]- 419.01376 187.1
[M+CH3COO]- 433.02941 217.2
[M+Na-2H]- 394.99023 182.1
[M]+ 374.01501 181.8
[M]- 374.01611 181.8
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

No patent data available for this compound.