CID 11539586

Perfluoro-6-fluorocarbonyl-5-oxaheptanesulfonyl fluoride

Structural Information

Molecular Formula
C7F14O4S
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C7F14O4S/c8-1(22)2(9,5(14,15)16)25-6(17,18)3(10,11)4(12,13)7(19,20)26(21,23)24
InChIKey
MVQBGIOLHWDPQR-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-fluorosulfonylbutoxy)propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.92938 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.93666 156.5
[M+Na]+ 468.91860 162.0
[M-H]- 444.92210 162.8
[M+NH4]+ 463.96320 167.3
[M+K]+ 484.89254 167.0
[M+H-H2O]+ 428.92664 159.3
[M+HCOO]- 490.92758 177.3
[M+CH3COO]- 504.94323 222.6
[M+Na-2H]- 466.90405 176.9
[M]+ 445.92883 158.3
[M]- 445.92993 158.3
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.