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]+ 237.998016 139.6
[M+Na]+ 259.979958 147.6
[M-H]- 235.983464 141.2
[M+NH4]+ 255.024563 156.6
[M+K]+ 275.953898 141.1
[M+H-H2O]+ 219.988000 136.8
[M+HCOO]- 281.988941 156.7
[M+CH3COO]- 296.004591 180.1
[M+Na-2H]- 257.965406 145.2
[M]+ 236.99019142 137.6
[M]- 236.99128858 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.