CID 125477454

[n(e),s(s)]-n-(3-fluorophenyl)methyleneperfluorobutanesulfinamide

Structural Information

Molecular Formula
C11H5F10NOS
SMILES
C1=CC(=CC(=C1)F)C=N[S@@](=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F10NOS/c12-7-3-1-2-6(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
YFLVIEFTGMOWIU-DEOSSOPVSA-N
Compound name
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.99323 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.00051 171.2
[M+Na]+ 411.98245 180.2
[M-H]- 387.98595 163.7
[M+NH4]+ 407.02705 182.7
[M+K]+ 427.95639 175.1
[M+H-H2O]+ 371.99049 156.8
[M+HCOO]- 433.99143 175.0
[M+CH3COO]- 448.00708 219.3
[M+Na-2H]- 409.96790 172.1
[M]+ 388.99268 159.5
[M]- 388.99378 159.5
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.