CID 458055

10,10-dioxophenoxathiine-2,8-diamine

Structural Information

Molecular Formula
C12H10N2O3S
SMILES
C1=CC2=C(C=C1N)S(=O)(=O)C3=C(O2)C=CC(=C3)N
InChI
InChI=1S/C12H10N2O3S/c13-7-1-3-9-11(5-7)18(15,16)12-6-8(14)2-4-10(12)17-9/h1-6H,13-14H2
InChIKey
MFMOJDZSLMQCEQ-UHFFFAOYSA-N
Compound name
10,10-dioxophenoxathiine-2,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

262.0412 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04848 150.6
[M+Na]+ 285.03042 161.9
[M-H]- 261.03392 156.6
[M+NH4]+ 280.07502 170.0
[M+K]+ 301.00436 158.2
[M+H-H2O]+ 245.03846 144.7
[M+HCOO]- 307.03940 168.0
[M+CH3COO]- 321.05505 163.7
[M+Na-2H]- 283.01587 158.9
[M]+ 262.04065 152.4
[M]- 262.04175 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.