CID 165722808

5-chloro-n-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl}-2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C16H10Cl2F6N2O
SMILES
C1=CC(=C(C=C1Cl)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C16H10Cl2F6N2O/c17-9-1-2-11(16(22,23)24)10(6-9)14(27)25-4-3-13-12(18)5-8(7-26-13)15(19,20)21/h1-2,5-7H,3-4H2,(H,25,27)
InChIKey
BFNFABVXJYBICX-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.00745 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.014726 186.0
[M+Na]+ 452.996668 197.0
[M-H]- 429.000174 183.7
[M+NH4]+ 448.041273 196.1
[M+K]+ 468.970608 188.3
[M+H-H2O]+ 413.004710 174.1
[M+HCOO]- 475.005651 189.8
[M+CH3COO]- 489.021301 224.9
[M+Na-2H]- 450.982116 186.6
[M]+ 430.00690142 183.0
[M]- 430.00799858 183.0
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.