CID 125477263

[n(e),s(s)]-n-(4-nitrophenyl)methyleneperfluorobutanesulfinamide

Structural Information

Molecular Formula
C11H5F9N2O3S
SMILES
C1=CC(=CC=C1C=N[S@@](=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H5F9N2O3S/c12-8(13,10(16,17)18)9(14,15)11(19,20)26(25)21-5-6-1-3-7(4-2-6)22(23)24/h1-5H/t26-/m0/s1
InChIKey
GYLVKWUPZMTHBJ-SANMLTNESA-N
Compound name
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(4-nitrophenyl)methylidene]butane-1-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.9877 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.99498 170.7
[M+Na]+ 438.97692 177.9
[M-H]- 414.98042 164.3
[M+NH4]+ 434.02152 180.2
[M+K]+ 454.95086 169.7
[M+H-H2O]+ 398.98496 161.5
[M+HCOO]- 460.98590 176.9
[M+CH3COO]- 475.00155 216.9
[M+Na-2H]- 436.96237 176.3
[M]+ 415.98715 158.8
[M]- 415.98825 158.8
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.