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]+ 362.954356 155.6
[M+Na]+ 384.936298 164.0
[M-H]- 360.939804 141.7
[M+NH4]+ 379.980903 166.6
[M+K]+ 400.910238 160.6
[M+H-H2O]+ 344.944340 143.4
[M+HCOO]- 406.945281 153.1
[M+CH3COO]- 420.960931 206.1
[M+Na-2H]- 382.921746 156.4
[M]+ 361.94653142 140.0
[M]- 361.94762858 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.