CID 170916308

2-(bromomethyl)phenyl sulfurofluoridate

Structural Information

Molecular Formula
C7H6BrFO3S
SMILES
C1=CC=C(C(=C1)CBr)OS(=O)(=O)F
InChI
InChI=1S/C7H6BrFO3S/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-4H,5H2
InChIKey
PVQXCIRDCDNOGE-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-fluorosulfonyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9205 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92778 137.0
[M+Na]+ 290.90972 150.4
[M-H]- 266.91322 142.8
[M+NH4]+ 285.95432 157.9
[M+K]+ 306.88366 139.0
[M+H-H2O]+ 250.91776 136.9
[M+HCOO]- 312.91870 153.4
[M+CH3COO]- 326.93435 187.9
[M+Na-2H]- 288.89517 144.2
[M]+ 267.91995 158.5
[M]- 267.92105 158.5
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.