CID 19702076

6-bromo-3,4-dihydro-2h-1-benzothiopyran

Structural Information

Molecular Formula
C9H9BrS
SMILES
C1CC2=C(C=CC(=C2)Br)SC1
InChI
InChI=1S/C9H9BrS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKey
IVHBQBNIGBXJKX-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-thiochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

227.96083 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96811 131.9
[M+Na]+ 250.95005 143.5
[M-H]- 226.95355 139.1
[M+NH4]+ 245.99465 155.5
[M+K]+ 266.92399 132.1
[M+H-H2O]+ 210.95809 133.4
[M+HCOO]- 272.95903 146.6
[M+CH3COO]- 286.97468 147.4
[M+Na-2H]- 248.93550 139.4
[M]+ 227.96028 149.4
[M]- 227.96138 149.4
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