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]+ 300.017046 158.6
[M+Na]+ 321.998988 166.8
[M-H]- 298.002494 160.6
[M+NH4]+ 317.043593 174.2
[M+K]+ 337.972928 162.9
[M+H-H2O]+ 282.007030 150.3
[M+HCOO]- 344.007971 169.7
[M+CH3COO]- 358.023621 200.1
[M+Na-2H]- 319.984436 161.7
[M]+ 299.00922142 161.5
[M]- 299.01031858 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.