CID 98463174

1189052-97-8

Structural Information

Molecular Formula
C10H10F13O3P
SMILES
CCOP(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H10F13O3P/c1-2-26-27(24,25)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3,(H,24,25)
InChIKey
VCDRIXYHTRFOBV-UHFFFAOYSA-N
Compound name
ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

456.016 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.02328 165.5
[M+Na]+ 479.00522 169.9
[M-H]- 455.00872 170.1
[M+NH4]+ 474.04982 172.9
[M+K]+ 494.97916 174.1
[M+H-H2O]+ 439.01326 149.4
[M+HCOO]- 501.01420 186.7
[M+CH3COO]- 515.02985 228.1
[M+Na-2H]- 476.99067 160.5
[M]+ 456.01545 163.0
[M]- 456.01655 163.0
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

patents stripe