CID 35626

2-(benzyloxy)-4,6-dichloro-1,3,5-triazine

Structural Information

Molecular Formula
C10H7Cl2N3O
SMILES
C1=CC=C(C=C1)COC2=NC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C10H7Cl2N3O/c11-8-13-9(12)15-10(14-8)16-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
BLYRMYBCLLKQBV-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-phenylmethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

254.99661 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00389 148.5
[M+Na]+ 277.98583 159.4
[M-H]- 253.98933 150.3
[M+NH4]+ 273.03043 162.5
[M+K]+ 293.95977 153.6
[M+H-H2O]+ 237.99387 139.6
[M+HCOO]- 299.99481 160.2
[M+CH3COO]- 314.01046 160.4
[M+Na-2H]- 275.97128 156.0
[M]+ 254.99606 152.5
[M]- 254.99716 152.5
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