CID 172419512

Fosa lactate

Structural Information

Molecular Formula
C11H6F17NO5S
SMILES
CC(C(=O)ONS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H6F17NO5S/c1-2(30)3(31)34-29-35(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2,29-30H,1H3
InChIKey
QKOHFDUXYJBFQQ-UHFFFAOYSA-N
Compound name
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino) 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.96954 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.97682 180.1
[M+Na]+ 609.95876 184.0
[M-H]- 585.96226 192.1
[M+NH4]+ 605.00336 191.9
[M+K]+ 625.93270 193.2
[M+H-H2O]+ 569.96680 167.9
[M+HCOO]- 631.96774 194.6
[M+CH3COO]- 645.98339 244.9
[M+Na-2H]- 607.94421 178.1
[M]+ 586.96899 179.3
[M]- 586.97009 179.3
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

No patent data available for this compound.