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]+ 258.978676 146.0
[M+Na]+ 280.960618 157.4
[M-H]- 256.964124 153.2
[M+NH4]+ 276.005223 170.1
[M+K]+ 296.934558 146.3
[M+H-H2O]+ 240.968660 147.6
[M+HCOO]- 302.969601 160.5
[M+CH3COO]- 316.985251 189.4
[M+Na-2H]- 278.946066 149.3
[M]+ 257.97085142 164.8
[M]- 257.97194858 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.