CID 14248471

4,5,6,7-tetrahydro-1-benzothiophen-6-one

Structural Information

Molecular Formula
C8H8OS
SMILES
C1CC2=C(CC1=O)SC=C2
InChI
InChI=1S/C8H8OS/c9-7-2-1-6-3-4-10-8(6)5-7/h3-4H,1-2,5H2
InChIKey
ZGBPTBGUFQFCJT-UHFFFAOYSA-N
Compound name
5,7-dihydro-4H-1-benzothiophen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

152.02959 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 128.3
[M+Na]+ 175.01881 137.3
[M-H]- 151.02231 133.2
[M+NH4]+ 170.06341 153.1
[M+K]+ 190.99275 134.8
[M+H-H2O]+ 135.02685 124.0
[M+HCOO]- 197.02779 146.4
[M+CH3COO]- 211.04344 142.8
[M+Na-2H]- 173.00426 132.0
[M]+ 152.02904 128.3
[M]- 152.03014 128.3
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