CID 9574254

2clphcon2 4ohco

Structural Information

Molecular Formula
C16H13ClN2O4
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O)Cl
InChI
InChI=1S/C16H13ClN2O4/c17-14-4-2-1-3-13(14)16(22)19-18-9-11-5-7-12(8-6-11)23-10-15(20)21/h1-9H,10H2,(H,19,22)(H,20,21)/b18-9+
InChIKey
UGXJPTJJQLHKAQ-GIJQJNRQSA-N
Compound name
2-[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0564 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06368 173.0
[M+Na]+ 355.04562 179.6
[M-H]- 331.04912 179.6
[M+NH4]+ 350.09022 186.6
[M+K]+ 371.01956 175.2
[M+H-H2O]+ 315.05366 165.3
[M+HCOO]- 377.05460 193.7
[M+CH3COO]- 391.07025 210.4
[M+Na-2H]- 353.03107 176.6
[M]+ 332.05585 176.7
[M]- 332.05695 176.7
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.