CID 17852028

1-benzofuran-5-thiol

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 123.8
[M+Na]+ 173.00315 136.0
[M-H]- 149.00665 130.6
[M+NH4]+ 168.04775 148.0
[M+K]+ 188.97709 134.4
[M+H-H2O]+ 133.01119 119.7
[M+HCOO]- 195.01213 145.4
[M+CH3COO]- 209.02778 140.2
[M+Na-2H]- 170.98860 131.2
[M]+ 150.01338 129.3
[M]- 150.01448 129.3
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