CID 119098099

2,4-dinitrobenzenesulfonyl fluoride

Structural Information

Molecular Formula
C6H3FN2O6S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)F
InChI
InChI=1S/C6H3FN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey
AUPURNORNBGWKI-UHFFFAOYSA-N
Compound name
2,4-dinitrobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

249.96959 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97687 144.3
[M+Na]+ 272.95881 151.5
[M-H]- 248.96231 147.3
[M+NH4]+ 268.00341 159.2
[M+K]+ 288.93275 141.0
[M+H-H2O]+ 232.96685 146.3
[M+HCOO]- 294.96779 163.8
[M+CH3COO]- 308.98344 177.1
[M+Na-2H]- 270.94426 153.2
[M]+ 249.96904 141.7
[M]- 249.97014 141.7
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