CID 13494938

Tris(nonafluorobutyl)(oxo)-lambda~5~-phosphane

Structural Information

Molecular Formula
C12F27OP
SMILES
C(C(C(F)(F)P(=O)(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)(C(F)(F)F)(F)F
InChI
InChI=1S/C12F27OP/c13-1(14,7(25,26)27)4(19,20)10(34,35)41(40,11(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
SCKQHGHUQPSXRW-UHFFFAOYSA-N
Compound name
1-[bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphoryl]-1,1,2,2,3,3,4,4,4-nonafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

703.92554 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.932816 204.0
[M+Na]+ 726.914758 207.1
[M-H]- 702.918264 215.5
[M+NH4]+ 721.959363 216.2
[M+K]+ 742.888698 220.0
[M+H-H2O]+ 686.922800 186.5
[M+HCOO]- 748.923741 222.7
[M+CH3COO]- 762.939391 261.5
[M+Na-2H]- 724.900206 204.1
[M]+ 703.92499142 200.8
[M]- 703.92608858 200.8
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