CID 99329

4-(bromomethyl)benzenesulfonyl fluoride

Structural Information

Molecular Formula
C7H6BrFO2S
SMILES
C1=CC(=CC=C1CBr)S(=O)(=O)F
InChI
InChI=1S/C7H6BrFO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2
InChIKey
WWAPDVQUZYCNCR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

251.92558 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.93286 134.4
[M+Na]+ 274.91480 137.1
[M+NH4]+ 269.95940 138.8
[M+K]+ 290.88874 136.3
[M-H]- 250.91830 133.1
[M+Na-2H]- 272.90025 137.8
[M]+ 251.92503 133.6
[M]- 251.92613 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe