CID 165690979

3-aminophenylsulfurofluoridate

Structural Information

Molecular Formula
C6H6FNO3S
SMILES
C1=CC(=CC(=C1)OS(=O)(=O)F)N
InChI
InChI=1S/C6H6FNO3S/c7-12(9,10)11-6-3-1-2-5(8)4-6/h1-4H,8H2
InChIKey
KGNNSDZTJPVJPV-UHFFFAOYSA-N
Compound name
1-amino-3-fluorosulfonyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00525 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.01253 135.6
[M+Na]+ 213.99447 145.5
[M+NH4]+ 209.03907 142.5
[M+K]+ 229.96841 139.6
[M-H]- 189.99797 135.0
[M+Na-2H]- 211.97992 140.6
[M]+ 191.00470 137.0
[M]- 191.00580 137.0
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.