CID 139597007

(e)-perfluorodec-8-ene-1-sulfonic acid

Structural Information

Molecular Formula
C10HF19O3S
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C10HF19O3S/c11-1(2(12)4(15,16)17)3(13,14)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)33(30,31)32/h(H,30,31,32)/b2-1+
InChIKey
RYOZFMRMUKKBCI-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10,10-nonadecafluorodec-8-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

561.9343 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.94158 177.8
[M+Na]+ 584.92352 181.8
[M-H]- 560.92702 186.9
[M+NH4]+ 579.96812 189.0
[M+K]+ 600.89746 191.8
[M+H-H2O]+ 544.93156 166.6
[M+HCOO]- 606.93250 193.6
[M+CH3COO]- 620.94815 239.8
[M+Na-2H]- 582.90897 177.0
[M]+ 561.93375 177.1
[M]- 561.93485 177.1
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.