CID 118855341

Akos026674427

Structural Information

Molecular Formula
C15H10Cl3F3N2O
SMILES
C[C@@H](C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C15H10Cl3F3N2O/c1-7(13-11(18)5-8(6-22-13)15(19,20)21)23-14(24)12-9(16)3-2-4-10(12)17/h2-7H,1H3,(H,23,24)/t7-/m0/s1
InChIKey
POMJMNBIQHBBDC-ZETCQYMHSA-N
Compound name
2,6-dichloro-N-[(1S)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.98108 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.98836 177.0
[M+Na]+ 418.97030 187.3
[M-H]- 394.97380 177.3
[M+NH4]+ 414.01490 188.6
[M+K]+ 434.94424 179.6
[M+H-H2O]+ 378.97834 168.5
[M+HCOO]- 440.97928 179.7
[M+CH3COO]- 454.99493 219.5
[M+Na-2H]- 416.95575 176.9
[M]+ 395.98053 177.7
[M]- 395.98163 177.7
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.