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

3
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

literature stripe

Patent stripe

patents stripe