CID 84715319

1-bromo-4-(2,2-difluoroethanesulfonyl)benzene

Structural Information

Molecular Formula
C8H7BrF2O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)CC(F)F)Br
InChI
InChI=1S/C8H7BrF2O2S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4,8H,5H2
InChIKey
TXTLVDIWENHGDG-UHFFFAOYSA-N
Compound name
1-bromo-4-(2,2-difluoroethylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.93182 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.93910 144.3
[M+Na]+ 306.92104 145.7
[M+NH4]+ 301.96564 147.7
[M+K]+ 322.89498 145.3
[M-H]- 282.92454 141.5
[M+Na-2H]- 304.90649 146.3
[M]+ 283.93127 142.8
[M]- 283.93237 142.8
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.