CID 61065110

(5-bromo-2-fluorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5BrClFO2S
SMILES
C1=CC(=C(C=C1Br)CS(=O)(=O)Cl)F
InChI
InChI=1S/C7H5BrClFO2S/c8-6-1-2-7(10)5(3-6)4-13(9,11)12/h1-3H,4H2
InChIKey
XFBVXYCQPMNGNR-UHFFFAOYSA-N
Compound name
(5-bromo-2-fluorophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.88663 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.893906 137.5
[M+Na]+ 308.875848 152.8
[M-H]- 284.879354 143.9
[M+NH4]+ 303.920453 159.1
[M+K]+ 324.849788 139.1
[M+H-H2O]+ 268.883890 138.8
[M+HCOO]- 330.884831 149.4
[M+CH3COO]- 344.900481 190.6
[M+Na-2H]- 306.861296 143.8
[M]+ 285.88608142 159.8
[M]- 285.88717858 159.8
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.