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

2
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 142.2
[M+Na]+ 241.02937 156.1
[M+NH4]+ 236.07397 152.8
[M+K]+ 257.00331 148.7
[M-H]- 217.03287 145.3
[M+Na-2H]- 239.01482 147.9
[M]+ 218.03960 145.6
[M]- 218.04070 145.6
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

patents stripe