CID 21618508

2,3-dihydro-1-benzofuran-5-thiol

Structural Information

Molecular Formula
C8H8OS
SMILES
C1COC2=C1C=C(C=C2)S
InChI
InChI=1S/C8H8OS/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,10H,3-4H2
InChIKey
VXUIGXVJRLQEBS-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

152.02959 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 126.4
[M+Na]+ 175.01881 136.4
[M-H]- 151.02231 132.4
[M+NH4]+ 170.06341 150.3
[M+K]+ 190.99275 135.3
[M+H-H2O]+ 135.02685 122.3
[M+HCOO]- 197.02779 145.1
[M+CH3COO]- 211.04344 141.7
[M+Na-2H]- 173.00426 131.9
[M]+ 152.02904 129.0
[M]- 152.03014 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