CID 138396382

(2s)-2-{bis[4-(heptadecafluorooctyl)phenyl][(triethylsilyl)oxy]methyl}pyrrolidine

Structural Information

Molecular Formula
C39H31F34NOSi
SMILES
CC[Si](CC)(CC)OC([C@@H]1CCCN1)(C2=CC=C(C=C2)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=C(C=C3)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C39H31F34NOSi/c1-4-76(5-2,6-3)75-23(22-8-7-17-74-22,18-9-13-20(14-10-18)24(40,41)26(44,45)28(48,49)30(52,53)32(56,57)34(60,61)36(64,65)38(68,69)70)19-11-15-21(16-12-19)25(42,43)27(46,47)29(50,51)31(54,55)33(58,59)35(62,63)37(66,67)39(71,72)73/h9-16,22,74H,4-8,17H2,1-3H3/t22-/m0/s1
InChIKey
PARYPNCCAOUHML-QFIPXVFZSA-N
Compound name
[bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-triethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1203.1632 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1204.1705 152.5
[M+Na]+ 1226.1524 152.5
[M+NH4]+ 1221.1970 152.5
[M+K]+ 1242.1264 152.5
[M-H]- 1202.1559 152.5
[M+Na-2H]- 1224.1379 152.5
[M]+ 1203.1627 152.5
[M]- 1203.1637 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

No patent data available for this compound.