CID 12993890

88190-28-7

Structural Information

Molecular Formula
C6F12O3S
SMILES
C(=C(F)F)(OC(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6F12O3S/c7-1(8)2(9)21-5(14,15)3(10,11)4(12,13)6(16,17)22(18,19)20
InChIKey
AWEWWBHNEFFOKN-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-4-(1,2,2-trifluoroethenoxy)butane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

379.93765 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.94493 184.1
[M+Na]+ 402.92687 183.8
[M+NH4]+ 397.97147 182.9
[M+K]+ 418.90081 182.2
[M-H]- 378.93037 178.3
[M+Na-2H]- 400.91232 181.4
[M]+ 379.93710 182.2
[M]- 379.93820 182.2
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