CID 30851

2-chloro-4,6-di-p-tolyl-1,3,5-triazine

Structural Information

Molecular Formula
C17H14ClN3
SMILES
CC1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C
InChI
InChI=1S/C17H14ClN3/c1-11-3-7-13(8-4-11)15-19-16(21-17(18)20-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
LPSLMIOUKRPZDC-UHFFFAOYSA-N
Compound name
2-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

295.08762 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09490 168.6
[M+Na]+ 318.07684 179.7
[M-H]- 294.08034 174.4
[M+NH4]+ 313.12144 180.7
[M+K]+ 334.05078 171.8
[M+H-H2O]+ 278.08488 157.7
[M+HCOO]- 340.08582 184.2
[M+CH3COO]- 354.10147 179.9
[M+Na-2H]- 316.06229 174.0
[M]+ 295.08707 171.0
[M]- 295.08817 171.0
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