CID 102076

Tris(pentafluorophenyl)phosphine

Structural Information

Molecular Formula
C18F15P
SMILES
C1(=C(C(=C(C(=C1F)F)P(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F)F)F)F
InChI
InChI=1S/C18F15P/c19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
InChIKey
FQLSDFNKTNBQLC-UHFFFAOYSA-N
Compound name
tris(2,3,4,5,6-pentafluorophenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1920
Patents

531.9498 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.95708 212.9
[M+Na]+ 554.93902 231.5
[M-H]- 530.94252 206.8
[M+NH4]+ 549.98362 220.5
[M+K]+ 570.91296 220.7
[M+H-H2O]+ 514.94706 191.0
[M+HCOO]- 576.94800 223.3
[M+CH3COO]- 590.96365 254.9
[M+Na-2H]- 552.92447 196.1
[M]+ 531.94925 199.1
[M]- 531.95035 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe