CID 172915003

B-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
2
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]+ 409.010376 171.5
[M+Na]+ 430.992318 157.5
[M-H]- 406.995824 157.7
[M+NH4]+ 426.036923 158.5
[M+K]+ 446.966258 176.5
[M+H-H2O]+ 391.000360 158.9
[M+HCOO]- 453.001301 166.8
[M+CH3COO]- 467.016951 217.5
[M+Na-2H]- 428.977766 172.9
[M]+ 408.00255142 149.1
[M]- 408.00364858 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

literature stripe

Patent stripe

No patent data available for this compound.