CID 162396565

Dtxsid601032454

Structural Information

Molecular Formula
C10H10F13O3P
SMILES
C(CP(=O)(O)O)C(CC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F13O3P/c11-5(12,1-2-27(24,25)26)3-6(13,14)4-7(15,16)8(17,18)9(19,20)10(21,22)23/h1-4H2,(H2,24,25,26)
InChIKey
UOGRQPWZHZXONH-UHFFFAOYSA-N
Compound name
3,3,5,5,7,7,8,8,9,9,10,10,10-tridecafluorodecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

456.016 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.02328 163.7
[M+Na]+ 479.00522 167.2
[M-H]- 455.00872 167.9
[M+NH4]+ 474.04982 169.0
[M+K]+ 494.97916 171.4
[M+H-H2O]+ 439.01326 146.5
[M+HCOO]- 501.01420 183.4
[M+CH3COO]- 515.02985 225.8
[M+Na-2H]- 476.99067 158.1
[M]+ 456.01545 160.0
[M]- 456.01655 160.0
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.