CID 165765968

5-bromo-3-nitropyridine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C5H2BrFN2O4S
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])S(=O)(=O)F)Br
InChI
InChI=1S/C5H2BrFN2O4S/c6-3-1-4(9(10)11)5(8-2-3)14(7,12)13/h1-2H
InChIKey
TXKHAJVBPHVYBU-UHFFFAOYSA-N
Compound name
5-bromo-3-nitropyridine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.89026 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.89754 135.8
[M+Na]+ 306.87948 149.0
[M-H]- 282.88298 140.8
[M+NH4]+ 301.92408 154.0
[M+K]+ 322.85342 133.6
[M+H-H2O]+ 266.88752 139.1
[M+HCOO]- 328.88846 152.4
[M+CH3COO]- 342.90411 184.8
[M+Na-2H]- 304.86493 145.3
[M]+ 283.88971 154.9
[M]- 283.89081 154.9
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.