CID 110546

Perfluoroheptane-1-sulfinic acid

Structural Information

Molecular Formula
C7HF15O2S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF15O2S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)25(23)24/h(H,23,24)
InChIKey
PCGFFOXXPIGVKC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

433.94577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.95305 170.2
[M+Na]+ 456.93499 170.1
[M+NH4]+ 451.97959 169.7
[M+K]+ 472.90893 169.7
[M-H]- 432.93849 167.4
[M+Na-2H]- 454.92044 169.5
[M]+ 433.94522 169.4
[M]- 433.94632 169.4
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

patents stripe