CID 138395016

6:2 fluorotelomer sulfinyl propanoic acid

Structural Information

Molecular Formula
C11H9F13O3S
SMILES
C(CS(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C11H9F13O3S/c12-6(13,2-4-28(27)3-1-5(25)26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,25,26)
InChIKey
DSUSHOGHCDVRGM-UHFFFAOYSA-N
Compound name
3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

468.00647 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.01375 171.0
[M+Na]+ 490.99569 175.7
[M-H]- 466.99919 173.8
[M+NH4]+ 486.04029 178.8
[M+K]+ 506.96963 181.4
[M+H-H2O]+ 451.00373 169.4
[M+HCOO]- 513.00467 185.7
[M+CH3COO]- 527.02032 227.4
[M+Na-2H]- 488.98114 182.7
[M]+ 468.00592 170.5
[M]- 468.00702 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.