CID 193539

4-nitrophenyl anthranilate

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H10N2O4/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H,14H2
InChIKey
IFHJJPYCVMFLMB-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

30
Patents

258.06406 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 154.1
[M+Na]+ 281.05328 160.2
[M-H]- 257.05678 160.7
[M+NH4]+ 276.09788 169.0
[M+K]+ 297.02722 153.6
[M+H-H2O]+ 241.06132 150.8
[M+HCOO]- 303.06226 179.8
[M+CH3COO]- 317.07791 190.1
[M+Na-2H]- 279.03873 160.5
[M]+ 258.06351 152.1
[M]- 258.06461 152.1
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