CID 110548

Perfluorooctanesulfinic acid

Structural Information

Molecular Formula
C8HF17O2S
SMILES
C(C(C(C(C(F)(F)S(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF17O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)28(26)27/h(H,26,27)
InChIKey
DFCYBFLXCKGZML-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

55
Patents

483.94257 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.94985 164.1
[M+Na]+ 506.93179 167.9
[M-H]- 482.93529 169.1
[M+NH4]+ 501.97639 172.1
[M+K]+ 522.90573 176.1
[M+H-H2O]+ 466.93983 168.1
[M+HCOO]- 528.94077 181.6
[M+CH3COO]- 542.95642 229.9
[M+Na-2H]- 504.91724 162.9
[M]+ 483.94202 163.8
[M]- 483.94312 163.8
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