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

16
Patents

152.02959 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.036866 128.3
[M+Na]+ 175.018808 137.3
[M-H]- 151.022314 133.2
[M+NH4]+ 170.063413 153.1
[M+K]+ 190.992748 134.8
[M+H-H2O]+ 135.026850 124.0
[M+HCOO]- 197.027791 146.4
[M+CH3COO]- 211.043441 142.8
[M+Na-2H]- 173.004256 132.0
[M]+ 152.02904142 128.3
[M]- 152.03013858 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