CID 130232427

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

Structural Information

Molecular Formula
C21H12ClN3O
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)OC5=CC=CC=C54
InChI
InChI=1S/C21H12ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-12H
InChIKey
SHXRJHODWWVKAQ-UHFFFAOYSA-N
Compound name
2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

357.0669 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07418 183.9
[M+Na]+ 380.05612 196.7
[M-H]- 356.05962 192.6
[M+NH4]+ 375.10072 195.4
[M+K]+ 396.03006 188.8
[M+H-H2O]+ 340.06416 172.3
[M+HCOO]- 402.06510 198.7
[M+CH3COO]- 416.08075 195.0
[M+Na-2H]- 378.04157 190.3
[M]+ 357.06635 189.2
[M]- 357.06745 189.2
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