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]+ 303.061176 163.4
[M+Na]+ 325.043118 168.6
[M-H]- 301.046624 169.8
[M+NH4]+ 320.087723 176.1
[M+K]+ 341.017058 163.1
[M+H-H2O]+ 285.051160 159.4
[M+HCOO]- 347.052101 188.2
[M+CH3COO]- 361.067751 196.7
[M+Na-2H]- 323.028566 168.5
[M]+ 302.05335142 162.9
[M]- 302.05444858 162.9
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.