CID 116932396

6-(bromomethyl)-3,4-dihydro-2h-1lambda6-benzothiopyran-1,1-dione

Structural Information

Molecular Formula
C10H11BrO2S
SMILES
C1CC2=C(C=CC(=C2)CBr)S(=O)(=O)C1
InChI
InChI=1S/C10H11BrO2S/c11-7-8-3-4-10-9(6-8)2-1-5-14(10,12)13/h3-4,6H,1-2,5,7H2
InChIKey
ZQGRGLASVMBAEL-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9663 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.97358 139.2
[M+Na]+ 296.95552 152.1
[M-H]- 272.95902 146.7
[M+NH4]+ 292.00012 163.0
[M+K]+ 312.92946 140.5
[M+H-H2O]+ 256.96356 141.0
[M+HCOO]- 318.96450 154.3
[M+CH3COO]- 332.98015 190.5
[M+Na-2H]- 294.94097 147.2
[M]+ 273.96575 159.3
[M]- 273.96685 159.3
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.