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

12
Patents

150.01393 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.021206 123.8
[M+Na]+ 173.003148 136.0
[M-H]- 149.006654 130.6
[M+NH4]+ 168.047753 148.0
[M+K]+ 188.977088 134.4
[M+H-H2O]+ 133.011190 119.7
[M+HCOO]- 195.012131 145.4
[M+CH3COO]- 209.027781 140.2
[M+Na-2H]- 170.988596 131.2
[M]+ 150.01338142 129.3
[M]- 150.01447858 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