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]+ 239.979506 144.8
[M+Na]+ 261.961448 154.2
[M-H]- 237.964954 146.7
[M+NH4]+ 257.006053 162.0
[M+K]+ 277.935388 149.5
[M+H-H2O]+ 221.969490 138.3
[M+HCOO]- 283.970431 156.8
[M+CH3COO]- 297.986081 184.7
[M+Na-2H]- 259.946896 149.1
[M]+ 238.97168142 145.5
[M]- 238.97277858 145.5
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.