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
2
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]+ 411.99202 187.7
[M+Na]+ 433.97396 198.7
[M-H]- 409.97746 195.5
[M+NH4]+ 429.01856 200.6
[M+K]+ 449.94790 192.2
[M+H-H2O]+ 393.98200 182.2
[M+HCOO]- 455.98294 198.5
[M+CH3COO]- 469.99859 225.2
[M+Na-2H]- 431.95941 192.4
[M]+ 410.98419 194.6
[M]- 410.98529 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.