CID 11571705

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

Structural Information

Molecular Formula
C36H25F34NOSi
SMILES
C[Si](C)(C)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/C36H25F34NOSi/c1-73(2,3)72-20(19-5-4-14-71-19,15-6-10-17(11-7-15)21(37,38)23(41,42)25(45,46)27(49,50)29(53,54)31(57,58)33(61,62)35(65,66)67)16-8-12-18(13-9-16)22(39,40)24(43,44)26(47,48)28(51,52)30(55,56)32(59,60)34(63,64)36(68,69)70/h6-13,19,71H,4-5,14H2,1-3H3/t19-/m0/s1
InChIKey
UPOGXAQYHYZJRF-IBGZPJMESA-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]-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1161.1162 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1162.1235 263.4
[M+Na]+ 1184.1054 267.2
[M-H]- 1160.1089 275.8
[M+NH4]+ 1179.1500 275.4
[M+K]+ 1200.0794 280.8
[M+H-H2O]+ 1144.1135 251.0
[M+HCOO]- 1206.1144 280.4
[M+CH3COO]- 1220.1301 290.8
[M+Na-2H]- 1182.0909 263.5
[M]+ 1161.1157 261.1
[M]- 1161.1167 261.1
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

No patent data available for this compound.