CID 125477285

[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/t23-/m0/s1
InChIKey
IPFAAVDLIDTUNL-QHCPKHFHSA-N
Compound name
(S)-N-benzylidene-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

371.00262 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.00990 168.5
[M+Na]+ 393.99184 176.7
[M-H]- 369.99534 161.9
[M+NH4]+ 389.03644 180.7
[M+K]+ 409.96578 172.0
[M+H-H2O]+ 353.99988 154.8
[M+HCOO]- 416.00082 173.4
[M+CH3COO]- 430.01647 215.4
[M+Na-2H]- 391.97729 170.6
[M]+ 371.00207 157.9
[M]- 371.00317 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.