CID 172915003

3-oh 7:3 ftca

Structural Information

Molecular Formula
C9H5F13O3
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C(=O)O
InChI
InChI=1S/C9H5F13O3/c10-4(11,2(23)1-3(24)25)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2,23H,1H2,(H,24,25)
InChIKey
LGVFKTGNGBMERG-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-hydroxynonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0031 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01038 171.5
[M+Na]+ 430.99232 157.5
[M-H]- 406.99582 157.7
[M+NH4]+ 426.03692 158.5
[M+K]+ 446.96626 176.5
[M+H-H2O]+ 391.00036 158.9
[M+HCOO]- 453.00130 166.8
[M+CH3COO]- 467.01695 217.5
[M+Na-2H]- 428.97777 172.9
[M]+ 408.00255 149.1
[M]- 408.00365 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.