CID 139594501

1-hydroxy-5:2 fluorotelomer sulfonic acid

Structural Information

Molecular Formula
C7H5F11O4S
SMILES
C(C(O)S(=O)(=O)O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F11O4S/c8-3(9,1-2(19)23(20,21)22)4(10,11)5(12,13)6(14,15)7(16,17)18/h2,19H,1H2,(H,20,21,22)
InChIKey
CDZUVFCZDWZHHN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-hydroxyheptane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

393.9733 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.98058 164.7
[M+Na]+ 416.96252 172.1
[M-H]- 392.96602 149.5
[M+NH4]+ 412.00712 155.6
[M+K]+ 432.93646 169.0
[M+H-H2O]+ 376.97056 152.7
[M+HCOO]- 438.97150 168.0
[M+CH3COO]- 452.98715 210.0
[M+Na-2H]- 414.94797 167.5
[M]+ 393.97275 149.6
[M]- 393.97385 149.6
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.