CID 109529

68133-31-3

Structural Information

Molecular Formula
C15H13Cl2N3O5S
SMILES
CCN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)N=NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3O5S/c1-2-20(19-18-13-5-3-9(16)7-12(13)17)14-6-4-10(26(23,24)25)8-11(14)15(21)22/h3-8H,2H2,1H3,(H,21,22)(H,23,24,25)
InChIKey
AIUSKUKQDFBYCX-UHFFFAOYSA-N
Compound name
2-[[(2,4-dichlorophenyl)diazenyl]-ethylamino]-5-sulfobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.9953 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.00258 187.7
[M+Na]+ 439.98452 195.9
[M-H]- 415.98802 196.2
[M+NH4]+ 435.02912 199.7
[M+K]+ 455.95846 191.5
[M+H-H2O]+ 399.99256 181.6
[M+HCOO]- 461.99350 199.7
[M+CH3COO]- 476.00915 227.6
[M+Na-2H]- 437.96997 190.2
[M]+ 416.99475 196.6
[M]- 416.99585 196.6
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.