CID 20117390

4-ethanesulfonamido-3-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H9ClFNO4S2
SMILES
CCS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C8H9ClFNO4S2/c1-2-16(12,13)11-8-4-3-6(5-7(8)10)17(9,14)15/h3-5,11H,2H2,1H3
InChIKey
DXQFAIJWYLDDPI-UHFFFAOYSA-N
Compound name
4-(ethylsulfonylamino)-3-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.96457 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.97185 157.2
[M+Na]+ 323.95379 166.9
[M-H]- 299.95729 160.0
[M+NH4]+ 318.99839 173.4
[M+K]+ 339.92773 160.8
[M+H-H2O]+ 283.96183 151.7
[M+HCOO]- 345.96277 164.8
[M+CH3COO]- 359.97842 196.1
[M+Na-2H]- 321.93924 160.9
[M]+ 300.96402 161.8
[M]- 300.96512 161.8
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.