CID 13981380

Refchem:457874

Structural Information

Molecular Formula

C₁₆H₉Cl₆N₃O

SMILES

COC1=CC=C(C2=CC=CC=C21)C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C16H9Cl6N3O/c1-26-11-7-6-10(8-4-2-3-5-9(8)11)12-23-13(15(17,18)19)25-14(24-12)16(20,21)22/h2-7H,1H3

InChIKey

FVNIIPIYHHEXQA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8937
Patents: 468.88766 Da
Monoisotopic Mass: 6.2
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]+	469.894936	197.8
[M+Na]+	491.876878	205.8
[M-H]-	467.880384	193.6
[M+NH4]+	486.921483	203.2
[M+K]+	507.850818	201.7
[M+H-H2O]+	451.884920	188.3
[M+HCOO]-	513.885861	182.5
[M+CH3COO]-	527.901511	201.4
[M+Na-2H]-	489.862326	197.8
[M]+	468.88711142	197.0
[M]-	468.88820858	197.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe