CID 11970565

69432-41-3

Structural Information

Molecular Formula

C₁₇H₁₁Cl₆N₃O

SMILES

CCOC1=CC=C(C2=CC=CC=C21)C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C17H11Cl6N3O/c1-2-27-12-8-7-11(9-5-3-4-6-10(9)12)13-24-14(16(18,19)20)26-15(25-13)17(21,22)23/h3-8H,2H2,1H3

InChIKey

NLNVSTLNDJGLTL-UHFFFAOYSA-N

Compound name

2-(4-ethoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2064
Patents: 482.90332 Da
Monoisotopic Mass: 6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	483.910596	201.5
[M+Na]+	505.892538	209.2
[M-H]-	481.896044	197.2
[M+NH4]+	500.937143	206.5
[M+K]+	521.866478	204.9
[M+H-H2O]+	465.900580	191.9
[M+HCOO]-	527.901521	186.0
[M+CH3COO]-	541.917171	204.7
[M+Na-2H]-	503.877986	201.1
[M]+	482.90277142	201.1
[M]-	482.90386858	201.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe