CID 81673615

1504948-18-8

Structural Information

Molecular Formula
C10H11BrOS
SMILES
C1CC(C2=C(C1)SC=C2)C(=O)CBr
InChI
InChI=1S/C10H11BrOS/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h4-5,7H,1-3,6H2
InChIKey
JPONGXMLGKBWIS-UHFFFAOYSA-N
Compound name
2-bromo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9714 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97868 146.0
[M+Na]+ 280.96062 157.4
[M-H]- 256.96412 153.2
[M+NH4]+ 276.00522 170.1
[M+K]+ 296.93456 146.3
[M+H-H2O]+ 240.96866 147.6
[M+HCOO]- 302.96960 160.5
[M+CH3COO]- 316.98525 189.4
[M+Na-2H]- 278.94607 149.3
[M]+ 257.97085 164.8
[M]- 257.97195 164.8
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

No patent data available for this compound.