CID 17852028

5-benzofuranthiol

Structural Information

Molecular Formula
C8H6OS
SMILES
C1=CC2=C(C=CO2)C=C1S
InChI
InChI=1S/C8H6OS/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,10H
InChIKey
PPFDCKWSHHGOQP-UHFFFAOYSA-N
Compound name
1-benzofuran-5-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

150.01393 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02121 124.7
[M+Na]+ 173.00315 139.6
[M+NH4]+ 168.04775 135.9
[M+K]+ 188.97709 132.2
[M-H]- 149.00665 129.8
[M+Na-2H]- 170.98860 132.2
[M]+ 150.01338 129.0
[M]- 150.01448 129.0
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