CID 59801489

5-bromo-1,3-dihydro-2-benzothiophene

Structural Information

Molecular Formula
C8H7BrS
SMILES
C1C2=C(CS1)C=C(C=C2)Br
InChI
InChI=1S/C8H7BrS/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2
InChIKey
RVXDMJNCFCLOLI-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dihydro-2-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

213.94518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95246 131.8
[M+Na]+ 236.93440 145.4
[M-H]- 212.93790 139.8
[M+NH4]+ 231.97900 158.0
[M+K]+ 252.90834 134.3
[M+H-H2O]+ 196.94244 133.9
[M+HCOO]- 258.94338 149.1
[M+CH3COO]- 272.95903 148.5
[M+Na-2H]- 234.91985 138.1
[M]+ 213.94463 151.2
[M]- 213.94573 151.2
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