CID 3063718

101564-11-8

Structural Information

Molecular Formula
C14H9Cl2NO2
SMILES
CC(=O)C1=CC=C(C=C1)N=C2C=C(C(=O)C(=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO2/c1-8(18)9-2-4-10(5-3-9)17-11-6-12(15)14(19)13(16)7-11/h2-7H,1H3
InChIKey
ZMKDHOBBPFBRLO-UHFFFAOYSA-N
Compound name
4-(4-acetylphenyl)imino-2,6-dichlorocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.00104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00832 160.8
[M+Na]+ 315.99026 171.4
[M-H]- 291.99376 168.8
[M+NH4]+ 311.03486 178.3
[M+K]+ 331.96420 165.4
[M+H-H2O]+ 275.99830 155.2
[M+HCOO]- 337.99924 176.6
[M+CH3COO]- 352.01489 204.3
[M+Na-2H]- 313.97571 163.4
[M]+ 293.00049 164.8
[M]- 293.00159 164.8
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.