CID 368368

Nsc639228

Structural Information

Molecular Formula
C14H9ClN2O5
SMILES
C1=CC(=CC=C1C(=O)ONC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H9ClN2O5/c15-11-5-1-9(2-6-11)13(18)16-22-14(19)10-3-7-12(8-4-10)17(20)21/h1-8H,(H,16,18)
InChIKey
RNPHCBRPUFTNMF-UHFFFAOYSA-N
Compound name
[(4-chlorobenzoyl)amino] 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.02 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02728 167.5
[M+Na]+ 343.00922 173.5
[M-H]- 319.01272 174.2
[M+NH4]+ 338.05382 180.8
[M+K]+ 358.98316 166.2
[M+H-H2O]+ 303.01726 164.9
[M+HCOO]- 365.01820 188.3
[M+CH3COO]- 379.03385 198.2
[M+Na-2H]- 340.99467 172.8
[M]+ 320.01945 169.0
[M]- 320.02055 169.0
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.