CID 85958

Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1230
Patents

445.92938 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.93666 172.3
[M+Na]+ 468.91860 165.1
[M-H]- 444.92210 164.5
[M+NH4]+ 463.96320 169.8
[M+K]+ 484.89254 178.1
[M+H-H2O]+ 428.92664 157.7
[M+HCOO]- 490.92758 177.0
[M+CH3COO]- 504.94323 222.1
[M+Na-2H]- 466.90405 173.3
[M]+ 445.92883 158.9
[M]- 445.92993 158.9
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