CID 118652415

1342819-12-8

Structural Information

Molecular Formula
C19H12ClN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H12ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKey
KTTRHLOWOKRRKS-UHFFFAOYSA-N
Compound name
2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

317.07196 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07924 173.9
[M+Na]+ 340.06118 184.4
[M-H]- 316.06468 179.9
[M+NH4]+ 335.10578 185.3
[M+K]+ 356.03512 175.5
[M+H-H2O]+ 300.06922 161.9
[M+HCOO]- 362.07016 188.3
[M+CH3COO]- 376.08581 184.3
[M+Na-2H]- 338.04663 181.8
[M]+ 317.07141 175.1
[M]- 317.07251 175.1
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