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
2
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 159.1
[M+Na]+ 402.92687 167.9
[M-H]- 378.93037 145.4
[M+NH4]+ 397.97147 169.8
[M+K]+ 418.90081 164.8
[M+H-H2O]+ 362.93491 145.6
[M+HCOO]- 424.93585 157.0
[M+CH3COO]- 438.95150 212.0
[M+Na-2H]- 400.91232 159.6
[M]+ 379.93710 144.0
[M]- 379.93820 144.0
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