CID 306495

N-benzyl-2,2,2-trichloroacetanilide

Structural Information

Molecular Formula
C15H12Cl3NO
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C15H12Cl3NO/c16-15(17,18)14(20)19(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
YXYASEBSOHPGRB-UHFFFAOYSA-N
Compound name
N-benzyl-2,2,2-trichloro-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.99844 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00572 170.1
[M+Na]+ 349.98766 177.4
[M-H]- 325.99116 175.8
[M+NH4]+ 345.03226 185.4
[M+K]+ 365.96160 171.3
[M+H-H2O]+ 309.99570 164.3
[M+HCOO]- 371.99664 178.4
[M+CH3COO]- 386.01229 207.3
[M+Na-2H]- 347.97311 174.2
[M]+ 326.99789 173.7
[M]- 326.99899 173.7
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

No patent data available for this compound.