CID 67820

Perfluoroheptanesulfonic acid

Structural Information

Molecular Formula
C7HF15O3S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)
InChIKey
OYGQVDSRYXATEL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1732
Patents

449.94067 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.94795 171.4
[M+Na]+ 472.92989 171.3
[M+NH4]+ 467.97449 170.8
[M+K]+ 488.90383 170.9
[M-H]- 448.93339 168.6
[M+Na-2H]- 470.91534 170.6
[M]+ 449.94012 170.5
[M]- 449.94122 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

patents stripe