CID 138402813

Dtxsid20891331

Structural Information

Molecular Formula
C8H2Cl2N2O6S2
SMILES
C(#N)C1=C(C(=C(C(=C1Cl)C#N)S(=O)(=O)O)Cl)S(=O)(=O)O
InChI
InChI=1S/C8H2Cl2N2O6S2/c9-5-3(1-11)7(19(13,14)15)6(10)8(4(5)2-12)20(16,17)18/h(H,13,14,15)(H,16,17,18)
InChIKey
KRIHZDRHCUOOQO-UHFFFAOYSA-N
Compound name
2,5-dichloro-4,6-dicyanobenzene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

355.87314 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.88042 192.2
[M+Na]+ 378.86236 204.0
[M-H]- 354.86586 196.8
[M+NH4]+ 373.90696 201.9
[M+K]+ 394.83630 201.2
[M+H-H2O]+ 338.87040 181.0
[M+HCOO]- 400.87134 189.7
[M+CH3COO]- 414.88699 225.2
[M+Na-2H]- 376.84781 190.8
[M]+ 355.87259 189.2
[M]- 355.87369 189.2
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

No patent data available for this compound.