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

1
Patents

282.89502 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.902296 138.3
[M+Na]+ 305.884238 151.1
[M-H]- 281.887744 144.3
[M+NH4]+ 300.928843 157.7
[M+K]+ 321.858178 135.6
[M+H-H2O]+ 265.892280 141.9
[M+HCOO]- 327.893221 155.6
[M+CH3COO]- 341.908871 185.1
[M+Na-2H]- 303.869686 146.8
[M]+ 282.89447142 157.2
[M]- 282.89556858 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

patents stripe