CID 119934

1,3-benzenediol, 4,4'-thiobis[6-chloro-

Structural Information

Molecular Formula
C12H8Cl2O4S
SMILES
C1=C(C(=CC(=C1O)Cl)SC2=CC(=C(C=C2O)O)Cl)O
InChI
InChI=1S/C12H8Cl2O4S/c13-5-1-11(9(17)3-7(5)15)19-12-2-6(14)8(16)4-10(12)18/h1-4,15-18H
InChIKey
RIPFOQYATDLGCF-UHFFFAOYSA-N
Compound name
4-chloro-6-(5-chloro-2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.95203 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.95931 157.8
[M+Na]+ 340.94125 169.2
[M-H]- 316.94475 160.6
[M+NH4]+ 335.98585 172.5
[M+K]+ 356.91519 161.6
[M+H-H2O]+ 300.94929 154.9
[M+HCOO]- 362.95023 163.2
[M+CH3COO]- 376.96588 194.1
[M+Na-2H]- 338.92670 157.9
[M]+ 317.95148 162.6
[M]- 317.95258 162.6
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