CID 14767041

Dtxsid80896640

Structural Information

Molecular Formula
C26H19F13P
SMILES
C1=CC=C(C=C1)[P+](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H19F13P/c27-21(28,22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39)16-17-40(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/q+1
InChIKey
ILRBOVRQJKQVHC-UHFFFAOYSA-N
Compound name
triphenyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

609.1017 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.10898 240.5
[M+Na]+ 632.09092 246.1
[M-H]- 608.09442 233.0
[M+NH4]+ 627.13552 241.9
[M+K]+ 648.06486 233.0
[M+H-H2O]+ 592.09896 221.4
[M+HCOO]- 654.09990 241.2
[M+CH3COO]- 668.11555 250.0
[M+Na-2H]- 630.07637 243.3
[M]+ 609.10115 220.5
[M]- 609.10225 220.5
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

No patent data available for this compound.