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
3
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]+ 310.003216 163.6
[M+Na]+ 331.985158 174.2
[M-H]- 307.988664 171.7
[M+NH4]+ 327.029763 180.5
[M+K]+ 347.959098 168.8
[M+H-H2O]+ 291.993200 157.8
[M+HCOO]- 353.994141 179.7
[M+CH3COO]- 368.009791 205.7
[M+Na-2H]- 329.970606 166.3
[M]+ 308.99539142 169.0
[M]- 308.99648858 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

literature stripe

Patent stripe

patents stripe