CID 308773

4-methyl-3-nitrobenzenesulfonyl fluoride

Structural Information

Molecular Formula
C7H6FNO4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)F)[N+](=O)[O-]
InChI
InChI=1S/C7H6FNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3
InChIKey
SBXIZNYNBRPFDU-UHFFFAOYSA-N
Compound name
4-methyl-3-nitrobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.00015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00743 137.6
[M+Na]+ 241.98937 149.2
[M+NH4]+ 237.03397 144.4
[M+K]+ 257.96331 145.8
[M-H]- 217.99287 137.9
[M+Na-2H]- 239.97482 142.5
[M]+ 218.99960 139.5
[M]- 219.00070 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.