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 127.2
[M+Na]+ 175.01881 140.2
[M+NH4]+ 170.06341 138.3
[M+K]+ 190.99275 133.3
[M-H]- 151.02231 131.8
[M+Na-2H]- 173.00426 132.9
[M]+ 152.02904 131.0
[M]- 152.03014 131.0
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