CID 9648145

477731-47-8

Structural Information

Molecular Formula
C13H10Cl2N2O3
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H10Cl2N2O3/c14-10-4-1-5-11(13(10)15)20-8-12(18)17-16-7-9-3-2-6-19-9/h1-7H,8H2,(H,17,18)/b16-7+
InChIKey
VLTNKSUPQWWUDS-FRKPEAEDSA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.00684 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01412 170.1
[M+Na]+ 334.99606 178.9
[M-H]- 310.99956 178.3
[M+NH4]+ 330.04066 186.4
[M+K]+ 350.97000 174.7
[M+H-H2O]+ 295.00410 163.7
[M+HCOO]- 357.00504 188.2
[M+CH3COO]- 371.02069 205.7
[M+Na-2H]- 332.98151 173.9
[M]+ 312.00629 176.8
[M]- 312.00739 176.8
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.