CID 78756

Bis(4-nitrophenyl) carbonate

Structural Information

Molecular Formula
C13H8N2O7
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H
InChIKey
ACBQROXDOHKANW-UHFFFAOYSA-N
Compound name
bis(4-nitrophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

22771
Patents

304.03314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04042 165.2
[M+Na]+ 327.02236 169.7
[M-H]- 303.02586 171.9
[M+NH4]+ 322.06696 177.0
[M+K]+ 342.99630 160.5
[M+H-H2O]+ 287.03040 165.6
[M+HCOO]- 349.03134 190.5
[M+CH3COO]- 363.04699 189.8
[M+Na-2H]- 325.00781 173.4
[M]+ 304.03259 164.2
[M]- 304.03369 164.2
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