CID 50989429

(2-bromo-4-fluorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5BrClFO2S
SMILES
C1=CC(=C(C=C1F)Br)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5BrClFO2S/c8-7-3-6(10)2-1-5(7)4-13(9,11)12/h1-3H,4H2
InChIKey
CNIONLWHMPZKMY-UHFFFAOYSA-N
Compound name
(2-bromo-4-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]+ 286.89391 137.5
[M+Na]+ 308.87585 152.8
[M-H]- 284.87935 143.9
[M+NH4]+ 303.92045 159.1
[M+K]+ 324.84979 139.1
[M+H-H2O]+ 268.88389 138.8
[M+HCOO]- 330.88483 149.4
[M+CH3COO]- 344.90048 190.6
[M+Na-2H]- 306.86130 143.8
[M]+ 285.88608 159.8
[M]- 285.88718 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.