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 125.8
[M+Na]+ 250.95005 130.2
[M+NH4]+ 245.99465 133.5
[M+K]+ 266.92399 127.6
[M-H]- 226.95355 128.5
[M+Na-2H]- 248.93550 130.9
[M]+ 227.96028 126.6
[M]- 227.96138 126.6
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