CID 101523657

Dtxsid001348671

Structural Information

Molecular Formula
C10H3F15O3
SMILES
C(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C10H3F15O3/c11-4(12,2(26)1-3(27)28)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1H2,(H,27,28)
InChIKey
NVECEEWNYKTCOF-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-oxodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.98425 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.99153 158.6
[M+Na]+ 478.97347 165.0
[M-H]- 454.97697 167.0
[M+NH4]+ 474.01807 168.7
[M+K]+ 494.94741 171.1
[M+H-H2O]+ 438.98151 150.0
[M+HCOO]- 500.98245 175.4
[M+CH3COO]- 514.99810 227.5
[M+Na-2H]- 476.95892 158.2
[M]+ 455.98370 156.8
[M]- 455.98480 156.8
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.