CID 347386

Acetamide, n,n'-(2,5-dichloro-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-

Structural Information

Molecular Formula
C10H8Cl2N2O4
SMILES
CC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)C)Cl
InChI
InChI=1S/C10H8Cl2N2O4/c1-3(15)13-7-5(11)10(18)8(14-4(2)16)6(12)9(7)17/h1-2H3,(H,13,15)(H,14,16)
InChIKey
ZYWQUADTNKEZKA-UHFFFAOYSA-N
Compound name
N-(4-acetamido-2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

289.9861 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99338 156.3
[M+Na]+ 312.97532 166.6
[M-H]- 288.97882 160.6
[M+NH4]+ 308.01992 173.4
[M+K]+ 328.94926 162.3
[M+H-H2O]+ 272.98336 152.9
[M+HCOO]- 334.98430 171.3
[M+CH3COO]- 348.99995 204.4
[M+Na-2H]- 310.96077 156.8
[M]+ 289.98555 160.4
[M]- 289.98665 160.4
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