CID 105619

Einecs 269-355-9

Structural Information

Molecular Formula
C16H11Cl2N3O4S
SMILES
C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=CC(=C3)Cl)Cl)N
InChI
InChI=1S/C16H11Cl2N3O4S/c17-9-2-3-11(18)13(6-9)20-21-16-12(19)4-1-8-5-10(26(23,24)25)7-14(22)15(8)16/h1-7,22H,19H2,(H,23,24,25)
InChIKey
SFMVNZLOHORTIO-UHFFFAOYSA-N
Compound name
6-amino-5-[(2,5-dichlorophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

410.98474 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.992016 187.7
[M+Na]+ 433.973958 198.7
[M-H]- 409.977464 195.5
[M+NH4]+ 429.018563 200.6
[M+K]+ 449.947898 192.2
[M+H-H2O]+ 393.982000 182.2
[M+HCOO]- 455.982941 198.5
[M+CH3COO]- 469.998591 225.2
[M+Na-2H]- 431.959406 192.4
[M]+ 410.98419142 194.6
[M]- 410.98528858 194.6
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.