CID 9655733

(4-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C17H14Cl2N2O5
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C17H14Cl2N2O5/c18-13-2-1-3-14(17(13)19)26-9-15(22)21-20-8-11-4-6-12(7-5-11)25-10-16(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)/b20-8+
InChIKey
CTONOBKIYBKMKC-DNTJNYDQSA-N
Compound name
2-[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.02798 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.03526 184.7
[M+Na]+ 419.01720 192.0
[M-H]- 395.02070 191.0
[M+NH4]+ 414.06180 196.5
[M+K]+ 434.99114 187.1
[M+H-H2O]+ 379.02524 177.8
[M+HCOO]- 441.02618 200.3
[M+CH3COO]- 455.04183 220.8
[M+Na-2H]- 417.00265 186.7
[M]+ 396.02743 192.1
[M]- 396.02853 192.1
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.