CID 138395047

[n(e),s(s)]-n-phenylmethyleneperfluorobutanesulfinamide

Structural Information

Molecular Formula
C11H6F9NOS
SMILES
C1=CC=C(C=C1)/C=N/[S@@](=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F9NOS/c12-8(13,10(16,17)18)9(14,15)11(19,20)23(22)21-6-7-4-2-1-3-5-7/h1-6H/b21-6+/t23-/m0/s1
InChIKey
IPFAAVDLIDTUNL-JZLKGKFRSA-N
Compound name
(NE,S)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

371.00262 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.009896 168.5
[M+Na]+ 393.991838 176.7
[M-H]- 369.995344 161.9
[M+NH4]+ 389.036443 180.7
[M+K]+ 409.965778 172.0
[M+H-H2O]+ 353.999880 154.8
[M+HCOO]- 416.000821 173.4
[M+CH3COO]- 430.016471 215.4
[M+Na-2H]- 391.977286 170.6
[M]+ 371.00207142 157.9
[M]- 371.00316858 157.9
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.