CID 138548248

2,4-dichloro-6-(dibenzo[b,d]furan-3-yl)-1,3,5-triazine

Structural Information

Molecular Formula
C15H7Cl2N3O
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C4=NC(=NC(=N4)Cl)Cl
InChI
InChI=1S/C15H7Cl2N3O/c16-14-18-13(19-15(17)20-14)8-5-6-10-9-3-1-2-4-11(9)21-12(10)7-8/h1-7H
InChIKey
JRKOKQRGGOTRKQ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-dibenzofuran-3-yl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

314.9966 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00388 167.4
[M+Na]+ 337.98582 181.9
[M-H]- 313.98932 172.6
[M+NH4]+ 333.03042 181.8
[M+K]+ 353.95976 175.0
[M+H-H2O]+ 297.99386 158.0
[M+HCOO]- 359.99480 178.0
[M+CH3COO]- 374.01045 179.6
[M+Na-2H]- 335.97127 174.3
[M]+ 314.99605 174.5
[M]- 314.99715 174.5
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