CID 3037088

Naphth(2,3-d)oxazole-7-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt (1:1)

Structural Information

Molecular Formula
C11H7NO4S2
SMILES
C1=CC(=CC2=CC3=C(C=C21)NC(=S)O3)S(=O)(=O)O
InChI
InChI=1S/C11H7NO4S2/c13-18(14,15)8-2-1-6-4-9-10(5-7(6)3-8)16-11(17)12-9/h1-5H,(H,12,17)(H,13,14,15)
InChIKey
SOXCZUAFEFVSCH-UHFFFAOYSA-N
Compound name
2-sulfanylidene-3H-benzo[f][1,3]benzoxazole-7-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

280.98166 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.988936 155.8
[M+Na]+ 303.970878 169.1
[M-H]- 279.974384 159.3
[M+NH4]+ 299.015483 173.1
[M+K]+ 319.944818 163.7
[M+H-H2O]+ 263.978920 152.3
[M+HCOO]- 325.979861 166.2
[M+CH3COO]- 339.995511 168.5
[M+Na-2H]- 301.956326 162.3
[M]+ 280.98111142 161.6
[M]- 280.98220858 161.6
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

patents stripe