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

84
Patents

725.9274 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.934676 205.5
[M+Na]+ 748.916618 208.7
[M-H]- 724.920124 215.4
[M+NH4]+ 743.961223 216.8
[M+K]+ 764.890558 221.7
[M+H-H2O]+ 708.924660 189.4
[M+HCOO]- 770.925601 222.5
[M+CH3COO]- 784.941251 264.1
[M+Na-2H]- 746.902066 206.0
[M]+ 725.92685142 199.7
[M]- 725.92794858 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