CID 119031348

1803562-48-2

Structural Information

Molecular Formula
C7H2BrClFNO2S
SMILES
C1=C(C(=CC(=C1F)S(=O)(=O)Cl)Br)C#N
InChI
InChI=1S/C7H2BrClFNO2S/c8-5-2-7(14(9,12)13)6(10)1-4(5)3-11/h1-2H
InChIKey
GTGWABGHQYJZCT-UHFFFAOYSA-N
Compound name
5-bromo-4-cyano-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.8662 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.87348 143.7
[M+Na]+ 319.85542 161.2
[M-H]- 295.85892 149.1
[M+NH4]+ 314.90002 162.9
[M+K]+ 335.82936 147.9
[M+H-H2O]+ 279.86346 138.3
[M+HCOO]- 341.86440 155.2
[M+CH3COO]- 355.88005 203.5
[M+Na-2H]- 317.84087 148.9
[M]+ 296.86565 159.2
[M]- 296.86675 159.2
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.