CID 5079533

2-chloro-2-phenyl-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C15H11ClF3NO
SMILES
C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C15H11ClF3NO/c16-13(10-5-2-1-3-6-10)14(21)20-12-8-4-7-11(9-12)15(17,18)19/h1-9,13H,(H,20,21)
InChIKey
HWONRNRNHBUEMB-UHFFFAOYSA-N
Compound name
2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.04813 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05541 165.1
[M+Na]+ 336.03735 172.7
[M-H]- 312.04085 167.6
[M+NH4]+ 331.08195 179.9
[M+K]+ 352.01129 166.5
[M+H-H2O]+ 296.04539 155.8
[M+HCOO]- 358.04633 179.3
[M+CH3COO]- 372.06198 204.8
[M+Na-2H]- 334.02280 168.3
[M]+ 313.04758 162.1
[M]- 313.04868 162.1
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