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]+ 411.985976 173.7
[M+Na]+ 433.967918 183.6
[M-H]- 409.971424 164.3
[M+NH4]+ 429.012523 183.7
[M+K]+ 449.941858 178.3
[M+H-H2O]+ 393.975960 159.4
[M+HCOO]- 455.976901 175.0
[M+CH3COO]- 469.992551 220.5
[M+Na-2H]- 431.953366 176.1
[M]+ 410.97815142 160.0
[M]- 410.97924858 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.