CID 102459819

N-[(4-bromophenyl)oxido(trifluoromethyl)sulfanylidene]perfluorobutanesulfonamide

Structural Information

Molecular Formula
C11H4BrF12NO3S2
SMILES
C1=CC(=CC=C1S(=NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)C(F)(F)F)Br
InChI
InChI=1S/C11H4BrF12NO3S2/c12-5-1-3-6(4-2-5)29(26,11(22,23)24)25-30(27,28)10(20,21)8(15,16)7(13,14)9(17,18)19/h1-4H
InChIKey
QZQHCXTZPMSMEM-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)-oxo-(trifluoromethyl)-lambda6-sulfanylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

568.8624 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.86968 198.9
[M+Na]+ 591.85162 210.5
[M-H]- 567.85512 192.1
[M+NH4]+ 586.89622 206.9
[M+K]+ 607.82556 196.2
[M+H-H2O]+ 551.85966 188.9
[M+HCOO]- 613.86060 192.9
[M+CH3COO]- 627.87625 236.6
[M+Na-2H]- 589.83707 204.2
[M]+ 568.86185 202.1
[M]- 568.86295 202.1
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.