CID 167721634

7-bromo-3,4-dihydro-2h-1-benzopyran-4-sulfonyl fluoride

Structural Information

Molecular Formula
C9H8BrFO3S
SMILES
C1COC2=C(C1S(=O)(=O)F)C=CC(=C2)Br
InChI
InChI=1S/C9H8BrFO3S/c10-6-1-2-7-8(5-6)14-4-3-9(7)15(11,12)13/h1-2,5,9H,3-4H2
InChIKey
AJYRBIBIENCRAN-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-2H-chromene-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.93616 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.94344 142.4
[M+Na]+ 316.92538 145.0
[M+NH4]+ 311.96998 147.0
[M+K]+ 332.89932 144.7
[M-H]- 292.92888 142.4
[M+Na-2H]- 314.91083 144.4
[M]+ 293.93561 142.0
[M]- 293.93671 142.0
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.