CID 5460102

Cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene

Structural Information

Molecular Formula
C12H10O2S
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=C[C@@H]([C@@H]3O)O
InChI
InChI=1S/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m0/s1
InChIKey
OOOXLVUNFHBSNL-UFBFGSQYSA-N
Compound name
(1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

218.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04743 142.0
[M+Na]+ 241.02937 153.2
[M-H]- 217.03287 146.1
[M+NH4]+ 236.07397 164.5
[M+K]+ 257.00331 148.0
[M+H-H2O]+ 201.03741 138.0
[M+HCOO]- 263.03835 158.6
[M+CH3COO]- 277.05400 155.7
[M+Na-2H]- 239.01482 146.9
[M]+ 218.03960 144.6
[M]- 218.04070 144.6
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

No patent data available for this compound.