CID 136002761

Chromate(2-), bis(4-((5-chloro-2-hydroxyphenyl)azo)naphth(2,1-d)-1,3-oxathiazol-5-ol 3,3-dioxidato(2-))-, sodium

Structural Information

Molecular Formula
C17H11ClN2O5S
SMILES
C1OC2=C(S1(=O)=O)C(=C(C3=CC=CC=C32)O)N=NC4=C(C=CC(=C4)Cl)O
InChI
InChI=1S/C17H11ClN2O5S/c18-9-5-6-13(21)12(7-9)19-20-14-15(22)10-3-1-2-4-11(10)16-17(14)26(23,24)8-25-16/h1-7,21-22H,8H2
InChIKey
FZDIWPZPEBTMES-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3,3-dioxobenzo[g][1,3]benzoxathiol-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

390.00772 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.01500 182.1
[M+Na]+ 412.99694 194.7
[M-H]- 389.00044 192.7
[M+NH4]+ 408.04154 199.4
[M+K]+ 428.97088 190.2
[M+H-H2O]+ 373.00498 176.8
[M+HCOO]- 435.00592 197.4
[M+CH3COO]- 449.02157 194.7
[M+Na-2H]- 410.98239 188.5
[M]+ 390.00717 191.2
[M]- 390.00827 191.2
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.