CID 259864

24857-20-3

Structural Information

Molecular Formula
C14H9Cl2NO3
SMILES
CC(=O)OC1=CC=C(C=C1)N=C2C=C(C(=O)C(=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO3/c1-8(18)20-11-4-2-9(3-5-11)17-10-6-12(15)14(19)13(16)7-10/h2-7H,1H3
InChIKey
TTWHMYKNQLOAIV-UHFFFAOYSA-N
Compound name
[4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

308.99594 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.00322 163.6
[M+Na]+ 331.98516 174.2
[M-H]- 307.98866 171.7
[M+NH4]+ 327.02976 180.5
[M+K]+ 347.95910 168.8
[M+H-H2O]+ 291.99320 157.8
[M+HCOO]- 353.99414 179.7
[M+CH3COO]- 368.00979 205.7
[M+Na-2H]- 329.97061 166.3
[M]+ 308.99539 169.0
[M]- 308.99649 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.