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)pyridin-2-yl]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]+ 431.01473 186.0
[M+Na]+ 452.99667 197.0
[M-H]- 429.00017 183.7
[M+NH4]+ 448.04127 196.1
[M+K]+ 468.97061 188.3
[M+H-H2O]+ 413.00471 174.1
[M+HCOO]- 475.00565 189.8
[M+CH3COO]- 489.02130 224.9
[M+Na-2H]- 450.98212 186.6
[M]+ 430.00690 183.0
[M]- 430.00800 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.