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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.055406	165.1
[M+Na]+	336.037348	172.7
[M-H]-	312.040854	167.6
[M+NH4]+	331.081953	179.9
[M+K]+	352.011288	166.5
[M+H-H2O]+	296.045390	155.8
[M+HCOO]-	358.046331	179.3
[M+CH3COO]-	372.061981	204.8
[M+Na-2H]-	334.022796	168.3
[M]+	313.04758142	162.1
[M]-	313.04867858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe