CID 165362544

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecanoic acid

Structural Information

Molecular Formula
C10H3F17O3
SMILES
C(C(=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/C10H3F17O3/c11-3(12,1(28)2(29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1,28H,(H,29,30)
InChIKey
PTSJFWHEUPNFFL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

493.98108 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.98836 162.8
[M+Na]+ 516.97030 167.3
[M-H]- 492.97380 171.8
[M+NH4]+ 512.01490 171.7
[M+K]+ 532.94424 175.5
[M+H-H2O]+ 476.97834 151.9
[M+HCOO]- 538.97928 177.6
[M+CH3COO]- 552.99493 232.0
[M+Na-2H]- 514.95575 161.9
[M]+ 493.98053 159.9
[M]- 493.98163 159.9
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.