CID 13581367

Perfluoro-1,6-hexanedisulfinic acid, sodium salt (1:2)

Structural Information

Molecular Formula
C6H2F12O4S2
SMILES
C(C(C(C(F)(F)S(=O)O)(F)F)(F)F)(C(C(F)(F)S(=O)O)(F)F)(F)F
InChI
InChI=1S/C6H2F12O4S2/c7-1(8,3(11,12)5(15,16)23(19)20)2(9,10)4(13,14)6(17,18)24(21)22/h(H,19,20)(H,21,22)
InChIKey
XENFDHRWEZOELX-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane-1,6-disulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

429.9203 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.92758 165.3
[M+Na]+ 452.90952 171.1
[M-H]- 428.91302 148.1
[M+NH4]+ 447.95412 165.5
[M+K]+ 468.88346 167.0
[M+H-H2O]+ 412.91756 151.7
[M+HCOO]- 474.91850 173.8
[M+CH3COO]- 488.93415 215.3
[M+Na-2H]- 450.89497 166.2
[M]+ 429.91975 149.1
[M]- 429.92085 149.1
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.