CID 886628

3-chloro-4-methoxy-n-(2-(trifluoromethyl)phenyl)benzamide

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05031 168.4
[M+Na]+ 352.03225 178.0
[M-H]- 328.03575 171.7
[M+NH4]+ 347.07685 183.2
[M+K]+ 368.00619 172.2
[M+H-H2O]+ 312.04029 159.3
[M+HCOO]- 374.04123 183.8
[M+CH3COO]- 388.05688 208.3
[M+Na-2H]- 350.01770 171.5
[M]+ 329.04248 168.3
[M]- 329.04358 168.3
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.