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
2
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 270.8
[M+Na]+ 1226.1524 274.3
[M-H]- 1202.1559 282.8
[M+NH4]+ 1221.1970 282.8
[M+K]+ 1242.1264 288.4
[M+H-H2O]+ 1186.1605 258.1
[M+HCOO]- 1248.1614 287.1
[M+CH3COO]- 1262.1771 294.1
[M+Na-2H]- 1224.1379 270.0
[M]+ 1203.1627 268.5
[M]- 1203.1637 268.5
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.