CID 886628

853311-49-6

Structural Information

Molecular Formula

C₁₅H₁₁ClF₃NO₂

SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)Cl

InChI

InChI=1S/C15H11ClF3NO2/c1-22-13-7-6-9(8-11(13)16)14(21)20-12-5-3-2-4-10(12)15(17,18)19/h2-8H,1H3,(H,20,21)

InChIKey

MLAALIJEXXHIEG-UHFFFAOYSA-N

Compound name

3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.04303 Da
Monoisotopic Mass: 4.2
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]+	330.050306	168.4
[M+Na]+	352.032248	178.0
[M-H]-	328.035754	171.7
[M+NH4]+	347.076853	183.2
[M+K]+	368.006188	172.2
[M+H-H2O]+	312.040290	159.3
[M+HCOO]-	374.041231	183.8
[M+CH3COO]-	388.056881	208.3
[M+Na-2H]-	350.017696	171.5
[M]+	329.04248142	168.3
[M]-	329.04357858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.