CID 67814

375-72-4

Structural Information

Molecular Formula
C4F10O2S
SMILES
C(C(C(F)(F)S(=O)(=O)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16
InChIKey
LUYQYZLEHLTPBH-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

109
References

8068
Patents

301.94592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.953196 145.5
[M+Na]+ 324.935138 155.5
[M-H]- 300.938644 134.4
[M+NH4]+ 319.979743 159.9
[M+K]+ 340.909078 152.7
[M+H-H2O]+ 284.943180 133.9
[M+HCOO]- 346.944121 147.3
[M+CH3COO]- 360.959771 198.3
[M+Na-2H]- 322.920586 149.2
[M]+ 301.94537142 133.0
[M]- 301.94646858 133.0
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

patents stripe