CID 2829825

2,2'-(tosylazanediyl)diethanesulfonyl fluoride

Structural Information

Molecular Formula
C11H15F2NO6S3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F
InChI
InChI=1S/C11H15F2NO6S3/c1-10-2-4-11(5-3-10)23(19,20)14(6-8-21(12,15)16)7-9-22(13,17)18/h2-5H,6-9H2,1H3
InChIKey
UJHKJTBZDLDNIP-UHFFFAOYSA-N
Compound name
2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

391.00296 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.01024 187.8
[M+Na]+ 413.99218 191.8
[M+NH4]+ 409.03678 190.1
[M+K]+ 429.96612 185.3
[M-H]- 389.99568 182.6
[M+Na-2H]- 411.97763 187.8
[M]+ 391.00241 187.7
[M]- 391.00351 187.7
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

patents stripe