CID 171841

67599-14-8

Structural Information

Molecular Formula
C15H13Cl2N3O5S
SMILES
CCN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)N=NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3O5S/c1-2-20(19-18-13-7-9(16)3-5-12(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
VDQDUWNLKBRASU-UHFFFAOYSA-N
Compound name
2-[[(2,5-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 190.8
[M+Na]+ 439.98452 201.7
[M+NH4]+ 435.02912 196.0
[M+K]+ 455.95846 195.0
[M-H]- 415.98802 193.5
[M+Na-2H]- 437.96997 196.8
[M]+ 416.99475 193.9
[M]- 416.99585 193.9
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.