CID 87667694

Dtxsid901009387

Structural Information

Molecular Formula
C16H11ClF6N2O2
SMILES
C1=CC=C(C(=C1)C(=O)NCC(C2=C(C=C(C=N2)C(F)(F)F)Cl)O)C(F)(F)F
InChI
InChI=1S/C16H11ClF6N2O2/c17-11-5-8(15(18,19)20)6-24-13(11)12(26)7-25-14(27)9-3-1-2-4-10(9)16(21,22)23/h1-6,12,26H,7H2,(H,25,27)
InChIKey
LZWQFTDQXOXRHG-UHFFFAOYSA-N
Compound name
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8
Patents

412.04132 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04860 183.7
[M+Na]+ 435.03054 192.6
[M-H]- 411.03404 180.5
[M+NH4]+ 430.07514 192.8
[M+K]+ 451.00448 185.5
[M+H-H2O]+ 395.03858 171.5
[M+HCOO]- 457.03952 190.2
[M+CH3COO]- 471.05517 220.5
[M+Na-2H]- 433.01599 184.3
[M]+ 412.04077 177.7
[M]- 412.04187 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.