CID 46705442

731858-15-4

Structural Information

Molecular Formula
C12H5F21O2P
SMILES
C(C[P+](=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H4F21O2P/c13-3(14,1-2-36(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2/p+1
InChIKey
IUAQXCCRPXDFHP-UHFFFAOYSA-O
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.9692 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.97648 205.1
[M+Na]+ 633.95842 207.6
[M-H]- 609.96192 215.3
[M+NH4]+ 629.00302 215.4
[M+K]+ 649.93236 216.6
[M+H-H2O]+ 593.96646 183.8
[M+HCOO]- 655.96740 224.3
[M+CH3COO]- 669.98305 246.0
[M+Na-2H]- 631.94387 200.7
[M]+ 610.96865 199.6
[M]- 610.96975 199.6
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.