CID 2736167

2-mercaptobenzene-1,4-diol

Structural Information

Molecular Formula
C6H6O2S
SMILES
C1=CC(=C(C=C1O)S)O
InChI
InChI=1S/C6H6O2S/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
InChIKey
ZFQJFYYGUOXGRF-UHFFFAOYSA-N
Compound name
2-sulfanylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1041
Patents

142.00885 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.01613 123.2
[M+Na]+ 164.99807 132.9
[M-H]- 141.00157 125.4
[M+NH4]+ 160.04267 144.5
[M+K]+ 180.97201 129.9
[M+H-H2O]+ 125.00611 118.9
[M+HCOO]- 187.00705 140.9
[M+CH3COO]- 201.02270 167.2
[M+Na-2H]- 162.98352 127.4
[M]+ 142.00830 124.1
[M]- 142.00940 124.1
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