CID 67544

1-decanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro-

Structural Information

Molecular Formula
C10F22O2S
SMILES
C(C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F22O2S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34
InChIKey
QMNUYVWNQITPHA-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

601.92676 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.93404 180.2
[M+Na]+ 624.91598 183.5
[M-H]- 600.91948 189.0
[M+NH4]+ 619.96058 191.6
[M+K]+ 640.88992 195.5
[M+H-H2O]+ 584.92402 167.5
[M+HCOO]- 646.92496 200.3
[M+CH3COO]- 660.94061 247.9
[M+Na-2H]- 622.90143 180.8
[M]+ 601.92621 181.3
[M]- 601.92731 181.3
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

patents stripe