CID 9940143

Phosphorane, difluorotris(nonafluorobutyl)-

Structural Information

Molecular Formula
C12F29P
SMILES
C(C(C(F)(F)P(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C12F29P/c13-1(14,7(25,26)27)4(19,20)10(34,35)42(40,41,11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33
InChIKey
KINYELQWZVVDLB-UHFFFAOYSA-N
Compound name
difluoro-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

92
Patents

725.9274 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.93468 205.5
[M+Na]+ 748.91662 208.7
[M-H]- 724.92012 215.4
[M+NH4]+ 743.96122 216.8
[M+K]+ 764.89056 221.7
[M+H-H2O]+ 708.92466 189.4
[M+HCOO]- 770.92560 222.5
[M+CH3COO]- 784.94125 264.1
[M+Na-2H]- 746.90207 206.0
[M]+ 725.92685 199.7
[M]- 725.92795 199.7
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