CID 138396360

[1-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinyl)ethenyl]benzene

Structural Information

Molecular Formula
C12H7F9OS
SMILES
C=C(C1=CC=CC=C1)S(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F9OS/c1-7(8-5-3-2-4-6-8)23(22)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-6H,1H2
InChIKey
UHUPWLAKMLPWSV-UHFFFAOYSA-N
Compound name
1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfinyl)ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.0074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01468 167.1
[M+Na]+ 392.99662 174.9
[M-H]- 369.00012 159.2
[M+NH4]+ 388.04122 178.8
[M+K]+ 408.97056 169.9
[M+H-H2O]+ 353.00466 154.2
[M+HCOO]- 415.00560 168.4
[M+CH3COO]- 429.02125 212.5
[M+Na-2H]- 390.98207 167.0
[M]+ 370.00685 155.3
[M]- 370.00795 155.3
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.