CID 612903

Perfluorobutanesulfinyl chloride

Structural Information

Molecular Formula
C4ClF9OS
SMILES
C(C(C(F)(F)S(=O)Cl)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4ClF9OS/c5-16(15)4(13,14)2(8,9)1(6,7)3(10,11)12
InChIKey
NZTIKPWWXCHFQI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.92148 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.92876 185.5
[M+Na]+ 324.91070 186.2
[M+NH4]+ 319.95530 185.2
[M+K]+ 340.88464 183.0
[M-H]- 300.91420 177.3
[M+Na-2H]- 322.89615 182.2
[M]+ 301.92093 183.2
[M]- 301.92203 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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