CID 71357885

24906-73-8

Structural Information

Molecular Formula
C7H5F2NO4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)C(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5F2NO4S/c8-7(9)15(13,14)6-3-1-2-5(4-6)10(11)12/h1-4,7H
InChIKey
QKNYWOHIGKHWHC-UHFFFAOYSA-N
Compound name
1-(difluoromethylsulfonyl)-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.99074 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99802 139.6
[M+Na]+ 259.97996 147.6
[M-H]- 235.98346 141.2
[M+NH4]+ 255.02456 156.6
[M+K]+ 275.95390 141.1
[M+H-H2O]+ 219.98800 136.8
[M+HCOO]- 281.98894 156.7
[M+CH3COO]- 296.00459 180.1
[M+Na-2H]- 257.96541 145.2
[M]+ 236.99019 137.6
[M]- 236.99129 137.6
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.