CID 139598265

(e)-perfluorohex-4-ene-1-sulfonic acid

Structural Information

Molecular Formula
C6HF11O3S
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)/F
InChI
InChI=1S/C6HF11O3S/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)21(18,19)20/h(H,18,19,20)/b2-1+
InChIKey
ZTMWZBVGFKTUKA-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

361.94708 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.95436 155.6
[M+Na]+ 384.93630 164.0
[M-H]- 360.93980 141.7
[M+NH4]+ 379.98090 166.6
[M+K]+ 400.91024 160.6
[M+H-H2O]+ 344.94434 143.4
[M+HCOO]- 406.94528 153.1
[M+CH3COO]- 420.96093 206.1
[M+Na-2H]- 382.92175 156.4
[M]+ 361.94653 140.0
[M]- 361.94763 140.0
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

No patent data available for this compound.