CID 3008445

2,4-bis(4-chlorophenoxy)-5-methyl-pyrimidine

Structural Information

Molecular Formula
C17H12Cl2N2O2
SMILES
CC1=CN=C(N=C1OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12Cl2N2O2/c1-11-10-20-17(23-15-8-4-13(19)5-9-15)21-16(11)22-14-6-2-12(18)3-7-14/h2-10H,1H3
InChIKey
VSSOZSMQPVGFET-UHFFFAOYSA-N
Compound name
2,4-bis(4-chlorophenoxy)-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0276 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03488 174.7
[M+Na]+ 369.01682 185.7
[M-H]- 345.02032 181.2
[M+NH4]+ 364.06142 186.4
[M+K]+ 384.99076 178.7
[M+H-H2O]+ 329.02486 164.7
[M+HCOO]- 391.02580 186.9
[M+CH3COO]- 405.04145 185.7
[M+Na-2H]- 367.00227 179.3
[M]+ 346.02705 180.7
[M]- 346.02815 180.7
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

No patent data available for this compound.