CID 3412588

145317-37-9

Structural Information

Molecular Formula
C16H12ClN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)CCl)C3=CC=CC=C3
InChI
InChI=1S/C16H12ClN3/c17-11-14-18-15(12-7-3-1-4-8-12)20-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
CNVGLBUTPMEUDF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07196 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07924 163.2
[M+Na]+ 304.06118 172.8
[M-H]- 280.06468 168.3
[M+NH4]+ 299.10578 175.2
[M+K]+ 320.03512 165.1
[M+H-H2O]+ 264.06922 152.1
[M+HCOO]- 326.07016 179.1
[M+CH3COO]- 340.08581 174.2
[M+Na-2H]- 302.04663 170.7
[M]+ 281.07141 164.4
[M]- 281.07251 164.4
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

No patent data available for this compound.