CID 16227079

877964-15-3

Structural Information

Molecular Formula
C9H11F2NO4S2
SMILES
CN(CCS(=O)(=O)F)S(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H11F2NO4S2/c1-12(6-7-17(11,13)14)18(15,16)9-4-2-8(10)3-5-9/h2-5H,6-7H2,1H3
InChIKey
QTAVGCCUOCJQIP-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)sulfonyl-methylamino]ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.00977 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.01705 158.6
[M+Na]+ 321.99899 166.8
[M-H]- 298.00249 160.6
[M+NH4]+ 317.04359 174.2
[M+K]+ 337.97293 162.9
[M+H-H2O]+ 282.00703 150.3
[M+HCOO]- 344.00797 169.7
[M+CH3COO]- 358.02362 200.1
[M+Na-2H]- 319.98444 161.7
[M]+ 299.00922 161.5
[M]- 299.01032 161.5
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.