CID 125477343

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

Structural Information

Molecular Formula
C11H5ClF9NOS
SMILES
C1=CC(=CC=C1C=N[S@@](=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C11H5ClF9NOS/c12-7-3-1-6(2-4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/t24-/m0/s1
InChIKey
MGQRMTIVHOQHJI-DEOSSOPVSA-N
Compound name
(S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.96365 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.97093 171.1
[M+Na]+ 427.95287 180.6
[M-H]- 403.95637 165.0
[M+NH4]+ 422.99747 183.1
[M+K]+ 443.92681 174.3
[M+H-H2O]+ 387.96091 158.4
[M+HCOO]- 449.96185 171.8
[M+CH3COO]- 463.97750 219.9
[M+Na-2H]- 425.93832 172.6
[M]+ 404.96310 163.1
[M]- 404.96420 163.1
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.