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 163.4
[M+Na]+ 325.04312 168.6
[M-H]- 301.04662 169.8
[M+NH4]+ 320.08772 176.1
[M+K]+ 341.01706 163.1
[M+H-H2O]+ 285.05116 159.4
[M+HCOO]- 347.05210 188.2
[M+CH3COO]- 361.06775 196.7
[M+Na-2H]- 323.02857 168.5
[M]+ 302.05335 162.9
[M]- 302.05445 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.