CID 165869313

2172430-08-7

Structural Information

Molecular Formula
C9H8BrFO3S
SMILES
C1COC2=C(C1S(=O)(=O)F)C=C(C=C2)Br
InChI
InChI=1S/C9H8BrFO3S/c10-6-1-2-8-7(5-6)9(3-4-14-8)15(11,12)13/h1-2,5,9H,3-4H2
InChIKey
HCCUCYQYXNZNOW-UHFFFAOYSA-N
Compound name
6-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 144.8
[M+Na]+ 316.92538 157.5
[M-H]- 292.92888 151.7
[M+NH4]+ 311.96998 164.6
[M+K]+ 332.89932 147.3
[M+H-H2O]+ 276.93342 145.3
[M+HCOO]- 338.93436 157.2
[M+CH3COO]- 352.95001 193.0
[M+Na-2H]- 314.91083 152.8
[M]+ 293.93561 164.4
[M]- 293.93671 164.4
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

No patent data available for this compound.