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

14
Patents

152.02959 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.036866 126.4
[M+Na]+ 175.018808 136.4
[M-H]- 151.022314 132.4
[M+NH4]+ 170.063413 150.3
[M+K]+ 190.992748 135.3
[M+H-H2O]+ 135.026850 122.3
[M+HCOO]- 197.027791 145.1
[M+CH3COO]- 211.043441 141.7
[M+Na-2H]- 173.004256 131.9
[M]+ 152.02904142 129.0
[M]- 152.03013858 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