CID 165745904

2171961-53-6

Structural Information

Molecular Formula
C8H8BrFO2S
SMILES
CC(C1=CC(=CC=C1)Br)S(=O)(=O)F
InChI
InChI=1S/C8H8BrFO2S/c1-6(13(10,11)12)7-3-2-4-8(9)5-7/h2-6H,1H3
InChIKey
KOKTXDOMGAHRFO-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.94125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94853 137.2
[M+Na]+ 288.93047 139.4
[M+NH4]+ 283.97507 141.4
[M+K]+ 304.90441 139.3
[M-H]- 264.93397 135.7
[M+Na-2H]- 286.91592 140.2
[M]+ 265.94070 136.3
[M]- 265.94180 136.3
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.