CID 99707414

252237-39-1

Structural Information

Molecular Formula
C12H6F21O3P
SMILES
C(CP(=O)(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/C12H6F21O3P/c13-3(14,1-2-37(34,35)36)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,(H2,34,35,36)
InChIKey
PMWXDQPVJHEZJK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

627.9719 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.97918 153.0
[M+Na]+ 650.96112 153.0
[M+NH4]+ 646.00572 153.0
[M+K]+ 666.93506 153.0
[M-H]- 626.96462 153.0
[M+Na-2H]- 648.94657 153.0
[M]+ 627.97135 153.0
[M]- 627.97245 153.0
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