CID 303938

4-(1-bromoethyl)benzene-1-sulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.94125 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94853 138.5
[M+Na]+ 288.93047 151.4
[M-H]- 264.93397 144.3
[M+NH4]+ 283.97507 159.6
[M+K]+ 304.90441 139.7
[M+H-H2O]+ 248.93851 138.6
[M+HCOO]- 310.93945 153.4
[M+CH3COO]- 324.95510 189.6
[M+Na-2H]- 286.91592 144.1
[M]+ 265.94070 158.4
[M]- 265.94180 158.4
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

patents stripe