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]+ 1204.170476 270.8
[M+Na]+ 1226.152418 274.3
[M-H]- 1202.155924 282.8
[M+NH4]+ 1221.197023 282.8
[M+K]+ 1242.126358 288.4
[M+H-H2O]+ 1186.160460 258.1
[M+HCOO]- 1248.161401 287.1
[M+CH3COO]- 1262.177051 294.1
[M+Na-2H]- 1224.137866 270.0
[M]+ 1203.16265142 268.5
[M]- 1203.16374858 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.