CID 280665

4-[(4-hydroxyphenyl)disulfanyl]phenol

Structural Information

Molecular Formula
C12H10O2S2
SMILES
C1=CC(=CC=C1O)SSC2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey
XGKGITBBMXTKTE-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)disulfanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1225
Patents

250.01222 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01950 148.7
[M+Na]+ 273.00144 157.4
[M-H]- 249.00494 153.0
[M+NH4]+ 268.04604 165.4
[M+K]+ 288.97538 150.7
[M+H-H2O]+ 233.00948 142.8
[M+HCOO]- 295.01042 160.6
[M+CH3COO]- 309.02607 160.4
[M+Na-2H]- 270.98689 150.9
[M]+ 250.01167 150.1
[M]- 250.01277 150.1
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