CID 94382

Quinonamid

Structural Information

Molecular Formula
C12H6Cl3NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(Cl)Cl
InChI
InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)
InChIKey
ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5552
Patents

316.9413 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.94858 160.5
[M+Na]+ 339.93052 174.6
[M+NH4]+ 334.97512 168.3
[M+K]+ 355.90446 167.4
[M-H]- 315.93402 162.1
[M+Na-2H]- 337.91597 165.5
[M]+ 316.94075 163.7
[M]- 316.94185 163.7
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

patents stripe