CID 210081

20916-28-3

Structural Information

Molecular Formula
C15H11ClN2O6
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H11ClN2O6/c16-9-1-6-13(12(7-9)15(20)21)17-14(19)8-24-11-4-2-10(3-5-11)18(22)23/h1-7H,8H2,(H,17,19)(H,20,21)
InChIKey
VPRAZXISONXJGO-UHFFFAOYSA-N
Compound name
5-chloro-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.03058 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03786 173.4
[M+Na]+ 373.01980 179.0
[M-H]- 349.02330 178.8
[M+NH4]+ 368.06440 184.8
[M+K]+ 388.99374 171.4
[M+H-H2O]+ 333.02784 170.9
[M+HCOO]- 395.02878 192.6
[M+CH3COO]- 409.04443 203.4
[M+Na-2H]- 371.00525 177.6
[M]+ 350.03003 175.4
[M]- 350.03113 175.4
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.