CID 40488781

N-(3,5-bis(trifluoromethyl)phenyl)-2,4-dichlorobenzamide

Structural Information

Molecular Formula
C15H7Cl2F6NO
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H7Cl2F6NO/c16-9-1-2-11(12(17)6-9)13(25)24-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,24,25)
InChIKey
SVGSGYWFBHGNSG-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.9809 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.98818 177.2
[M+Na]+ 423.97012 188.8
[M-H]- 399.97362 176.5
[M+NH4]+ 419.01472 189.8
[M+K]+ 439.94406 180.4
[M+H-H2O]+ 383.97816 166.8
[M+HCOO]- 445.97910 182.8
[M+CH3COO]- 459.99475 219.6
[M+Na-2H]- 421.95557 178.1
[M]+ 400.98035 173.5
[M]- 400.98145 173.5
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.