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]+ 704.93282 204.0
[M+Na]+ 726.91476 207.1
[M-H]- 702.91826 215.5
[M+NH4]+ 721.95936 216.2
[M+K]+ 742.88870 220.0
[M+H-H2O]+ 686.92280 186.5
[M+HCOO]- 748.92374 222.7
[M+CH3COO]- 762.93939 261.5
[M+Na-2H]- 724.90021 204.1
[M]+ 703.92499 200.8
[M]- 703.92609 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