CID 347711

5,5-dioxidodibenzo[b,d]thien-3-ylamine

Structural Information

Molecular Formula
C12H9NO2S
SMILES
C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=C(C=C3)N
InChI
InChI=1S/C12H9NO2S/c13-8-5-6-10-9-3-1-2-4-11(9)16(14,15)12(10)7-8/h1-7H,13H2
InChIKey
RHWPUKCISLOMRK-UHFFFAOYSA-N
Compound name
5,5-dioxodibenzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

231.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04268 145.0
[M+Na]+ 254.02462 157.7
[M-H]- 230.02812 151.5
[M+NH4]+ 249.06922 169.6
[M+K]+ 269.99856 152.6
[M+H-H2O]+ 214.03266 140.5
[M+HCOO]- 276.03360 165.2
[M+CH3COO]- 290.04925 159.7
[M+Na-2H]- 252.01007 151.6
[M]+ 231.03485 148.5
[M]- 231.03595 148.5
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.