CID 47003189

(4-bromo-2-fluorophenyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C7H5BrF2O2S
SMILES
C1=CC(=C(C=C1Br)F)CS(=O)(=O)F
InChI
InChI=1S/C7H5BrF2O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKey
BOYHGJVWBKVNRT-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluorophenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.91617 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.92345 136.7
[M+Na]+ 292.90539 151.0
[M-H]- 268.90889 141.5
[M+NH4]+ 287.94999 157.8
[M+K]+ 308.87933 138.7
[M+H-H2O]+ 252.91343 136.0
[M+HCOO]- 314.91437 151.8
[M+CH3COO]- 328.93002 189.6
[M+Na-2H]- 290.89084 142.5
[M]+ 269.91562 156.0
[M]- 269.91672 156.0
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.