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

4
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 163.2
[M+Na]+ 331.98516 178.7
[M+NH4]+ 327.02976 171.3
[M+K]+ 347.95910 170.5
[M-H]- 307.98866 167.4
[M+Na-2H]- 329.97061 171.4
[M]+ 308.99539 167.2
[M]- 308.99649 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe