CID 15703

1,3-dicarbamoyl-2,4,5,6-tetrachlorobenzene

Structural Information

Molecular Formula
C8H4Cl4N2O2
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)C(=O)N)Cl)C(=O)N
InChI
InChI=1S/C8H4Cl4N2O2/c9-3-1(7(13)15)4(10)6(12)5(11)2(3)8(14)16/h(H2,13,15)(H2,14,16)
InChIKey
QYJBVOVPBGZPCZ-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrachlorobenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

4
Patents

299.90268 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.90996 157.3
[M+Na]+ 322.89190 168.0
[M-H]- 298.89540 158.0
[M+NH4]+ 317.93650 173.0
[M+K]+ 338.86584 162.1
[M+H-H2O]+ 282.89994 155.9
[M+HCOO]- 344.90088 161.3
[M+CH3COO]- 358.91653 206.2
[M+Na-2H]- 320.87735 155.0
[M]+ 299.90213 158.0
[M]- 299.90323 158.0
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.