CID 112694212

3-sulfamoylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H6FNO4S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)S(=O)(=O)N
InChI
InChI=1S/C6H6FNO4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,8,11,12)
InChIKey
CWARYJSMFYLTFC-UHFFFAOYSA-N
Compound name
3-sulfamoylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.97223 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97951 148.9
[M+Na]+ 261.96145 157.0
[M+NH4]+ 257.00605 154.5
[M+K]+ 277.93539 150.8
[M-H]- 237.96495 146.8
[M+Na-2H]- 259.94690 152.0
[M]+ 238.97168 150.1
[M]- 238.97278 150.1
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.