CID 79945

5850-80-6

Structural Information

Molecular Formula
C17H11ClN2O6S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C(=C3)C(=O)O)Cl)S(=O)(=O)O)O
InChI
InChI=1S/C17H11ClN2O6S/c18-12-8-15(27(24,25)26)13(7-11(12)17(22)23)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21/h1-8,21H,(H,22,23)(H,24,25,26)
InChIKey
SRTODJPUZSSTGI-UHFFFAOYSA-N
Compound name
2-chloro-5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

386
Patents

406.00262 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.00990 186.9
[M+Na]+ 428.99184 199.5
[M+NH4]+ 424.03644 192.5
[M+K]+ 444.96578 192.6
[M-H]- 404.99534 189.7
[M+Na-2H]- 426.97729 193.3
[M]+ 406.00207 190.1
[M]- 406.00317 190.1
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

patents stripe