CID 125455005

2-bromo-5-nitrobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3BrFNO4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)F)Br
InChI
InChI=1S/C6H3BrFNO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H
InChIKey
XLQXQYYCYUQZID-UHFFFAOYSA-N
Compound name
2-bromo-5-nitrobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.89502 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.90230 138.3
[M+Na]+ 305.88424 151.1
[M-H]- 281.88774 144.3
[M+NH4]+ 300.92884 157.7
[M+K]+ 321.85818 135.6
[M+H-H2O]+ 265.89228 141.9
[M+HCOO]- 327.89322 155.6
[M+CH3COO]- 341.90887 185.1
[M+Na-2H]- 303.86969 146.8
[M]+ 282.89447 157.2
[M]- 282.89557 157.2
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.