CID 3021314

4-nitrophenyl 2-((aminocarbonyl)oxy)benzoate

Structural Information

Molecular Formula
C14H10N2O6
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)N
InChI
InChI=1S/C14H10N2O6/c15-14(18)22-12-4-2-1-3-11(12)13(17)21-10-7-5-9(6-8-10)16(19)20/h1-8H,(H2,15,18)
InChIKey
HYFBDRYGMHFGRI-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0539 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06118 163.2
[M+Na]+ 325.04312 175.1
[M+NH4]+ 320.08772 168.7
[M+K]+ 341.01706 173.6
[M-H]- 301.04662 166.9
[M+Na-2H]- 323.02857 169.7
[M]+ 302.05335 165.5
[M]- 302.05445 165.5
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.