CID 10653969

322647-82-5

Structural Information

Molecular Formula
C39H18F39P
SMILES
C1=CC(=CC=C1CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)P(C2=CC=C(C=C2)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C39H18F39P/c40-25(41,28(46,47)37(70,71)72)22(31(52,53)54,32(55,56)57)13-16-1-7-19(8-2-16)79(20-9-3-17(4-10-20)14-23(33(58,59)60,34(61,62)63)26(42,43)29(48,49)38(73,74)75)21-11-5-18(6-12-21)15-24(35(64,65)66,36(67,68)69)27(44,45)30(50,51)39(76,77)78/h1-12H,13-15H2
InChIKey
ZHQHSVFPOKMCMF-UHFFFAOYSA-N
Compound name
tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

1258.0524 Da
Monoisotopic Mass

19.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1259.0597 152.5
[M+Na]+ 1281.0416 152.5
[M+NH4]+ 1276.0862 152.5
[M+K]+ 1297.0156 152.5
[M-H]- 1257.0451 152.5
[M+Na-2H]- 1279.0271 152.5
[M]+ 1258.0519 152.5
[M]- 1258.0529 152.5
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

patents stripe