CID 137608

2471-92-3

Structural Information

Molecular Formula
C8H8S
SMILES
C1C2=CC=CC=C2CS1
InChI
InChI=1S/C8H8S/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2
InChIKey
KVRZARWOKBNZMM-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1967
Patents

136.03467 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04195 124.1
[M+Na]+ 159.02389 133.2
[M-H]- 135.02739 129.1
[M+NH4]+ 154.06849 149.6
[M+K]+ 174.99783 130.6
[M+H-H2O]+ 119.03193 119.6
[M+HCOO]- 181.03287 143.3
[M+CH3COO]- 195.04852 139.0
[M+Na-2H]- 157.00934 129.3
[M]+ 136.03412 124.4
[M]- 136.03522 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe