CID 22476006

182918-13-4

Structural Information

Molecular Formula
C27H18ClN3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H18ClN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKey
FVQBRDRAILXTMJ-UHFFFAOYSA-N
Compound name
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

624
Patents

419.11893 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12621 204.9
[M+Na]+ 442.10815 213.6
[M-H]- 418.11165 215.2
[M+NH4]+ 437.15275 210.0
[M+K]+ 458.08209 202.5
[M+H-H2O]+ 402.11619 189.7
[M+HCOO]- 464.11713 218.5
[M+CH3COO]- 478.13278 212.8
[M+Na-2H]- 440.09360 209.1
[M]+ 419.11838 204.7
[M]- 419.11948 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe