CID 65368132

4-bromo-5-carbamoyl-2-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4BrClFNO3S
SMILES
C1=C(C(=CC(=C1S(=O)(=O)Cl)F)Br)C(=O)N
InChI
InChI=1S/C7H4BrClFNO3S/c8-4-2-5(10)6(15(9,13)14)1-3(4)7(11)12/h1-2H,(H2,11,12)
InChIKey
KJLCLHNURHAFEP-UHFFFAOYSA-N
Compound name
4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.87677 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.88405 143.3
[M+Na]+ 337.86599 157.8
[M-H]- 313.86949 149.1
[M+NH4]+ 332.91059 162.8
[M+K]+ 353.83993 143.7
[M+H-H2O]+ 297.87403 143.7
[M+HCOO]- 359.87497 154.6
[M+CH3COO]- 373.89062 197.6
[M+Na-2H]- 335.85144 147.5
[M]+ 314.87622 164.1
[M]- 314.87732 164.1
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.