CID 47003565

6-bromo-2h-chromene-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H6BrClO3S
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Br)S(=O)(=O)Cl
InChI
InChI=1S/C9H6BrClO3S/c10-7-1-2-9-6(3-7)4-8(5-14-9)15(11,12)13/h1-4H,5H2
InChIKey
CPNDFGDTQITCDB-UHFFFAOYSA-N
Compound name
6-bromo-2H-chromene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.89096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.898236 144.5
[M+Na]+ 330.880178 159.1
[M-H]- 306.883684 153.2
[M+NH4]+ 325.924783 164.9
[M+K]+ 346.854118 147.5
[M+H-H2O]+ 290.888220 146.8
[M+HCOO]- 352.889161 154.9
[M+CH3COO]- 366.904811 193.7
[M+Na-2H]- 328.865626 153.7
[M]+ 307.89041142 168.3
[M]- 307.89150858 168.3
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.