CID 3008441

2,4-bis(4-nitrophenoxy)pyrimidine

Structural Information

Molecular Formula
C16H10N4O6
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=NC(=NC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H10N4O6/c21-19(22)11-1-5-13(6-2-11)25-15-9-10-17-16(18-15)26-14-7-3-12(4-8-14)20(23)24/h1-10H
InChIKey
ZJXWBNIZKIQIGE-UHFFFAOYSA-N
Compound name
2,4-bis(4-nitrophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.06003 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06731 177.7
[M+Na]+ 377.04925 181.8
[M-H]- 353.05275 184.8
[M+NH4]+ 372.09385 184.3
[M+K]+ 393.02319 170.5
[M+H-H2O]+ 337.05729 174.6
[M+HCOO]- 399.05823 200.7
[M+CH3COO]- 413.07388 201.2
[M+Na-2H]- 375.03470 188.3
[M]+ 354.05948 175.8
[M]- 354.06058 175.8
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.