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

5887
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 159.7
[M+Na]+ 339.93052 170.3
[M-H]- 315.93402 163.1
[M+NH4]+ 334.97512 176.7
[M+K]+ 355.90446 164.3
[M+H-H2O]+ 299.93856 156.7
[M+HCOO]- 361.93950 167.2
[M+CH3COO]- 375.95515 205.7
[M+Na-2H]- 337.91597 161.8
[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