CID 138396373

Dtxsid20896205

Structural Information

Molecular Formula
C10H4F11NO2S
SMILES
C1=CC(=C(C=C1F)F)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F11NO2S/c11-4-1-2-6(5(12)3-4)22-25(23,24)10(20,21)8(15,16)7(13,14)9(17,18)19/h1-3,22H
InChIKey
UJIJCTJJFCYMGG-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-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

410.9787 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.98598 173.7
[M+Na]+ 433.96792 183.6
[M-H]- 409.97142 164.3
[M+NH4]+ 429.01252 183.7
[M+K]+ 449.94186 178.3
[M+H-H2O]+ 393.97596 159.4
[M+HCOO]- 455.97690 175.0
[M+CH3COO]- 469.99255 220.5
[M+Na-2H]- 431.95337 176.1
[M]+ 410.97815 160.0
[M]- 410.97925 160.0
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.