CID 13981380

2-(4-methoxy-1-naphthyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

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

12435
Patents

468.88766 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.89494 197.8
[M+Na]+ 491.87688 205.8
[M-H]- 467.88038 193.6
[M+NH4]+ 486.92148 203.2
[M+K]+ 507.85082 201.7
[M+H-H2O]+ 451.88492 188.3
[M+HCOO]- 513.88586 182.5
[M+CH3COO]- 527.90151 201.4
[M+Na-2H]- 489.86233 197.8
[M]+ 468.88711 197.0
[M]- 468.88821 197.0
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

patents stripe