CID 60203151

1146629-74-4

Structural Information

Molecular Formula
C27H29F12NOSi
SMILES
CC(C)(C)[Si](C)(C)OC([C@H]1CCCN1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C27H29F12NOSi/c1-22(2,3)42(4,5)41-23(21-7-6-8-40-21,15-9-17(24(28,29)30)13-18(10-15)25(31,32)33)16-11-19(26(34,35)36)14-20(12-16)27(37,38)39/h9-14,21,40H,6-8H2,1-5H3/t21-/m1/s1
InChIKey
ZLULOCHUEDLXQY-OAQYLSRUSA-N
Compound name
[bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

639.1827 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.18998 194.0
[M+Na]+ 662.17192 193.9
[M+NH4]+ 657.21652 192.8
[M+K]+ 678.14586 192.6
[M-H]- 638.17542 189.4
[M+Na-2H]- 660.15737 192.3
[M]+ 639.18215 192.5
[M]- 639.18325 192.5
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