PubChemLite - 848821-61-4 (C24H23F12NOSi)

Structural Information

Molecular Formula

SMILES

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/C24H23F12NOSi/c1-39(2,3)38-20(19-5-4-6-37-19,13-7-15(21(25,26)27)11-16(8-13)22(28,29)30)14-9-17(23(31,32)33)12-18(10-14)24(34,35)36/h7-12,19,37H,4-6H2,1-3H3/t19-/m0/s1

InChIKey

MOHRGTBNEJKFMB-IBGZPJMESA-N

Compound name

[bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	598.14302	190.6
[M+Na]+	620.12496	190.7
[M+NH4]+	615.16956	189.5
[M+K]+	636.09890	189.3
[M-H]-	596.12846	186.0
[M+Na-2H]-	618.11041	189.0
[M]+	597.13519	189.1
[M]-	597.13629	189.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

598.14302

190.6

[M+Na]+

620.12496

190.7

[M+NH4]+

615.16956

189.5

[M+K]+

636.09890

189.3

[M-H]-

596.12846

186.0

[M+Na-2H]-

618.11041

189.0

[M]+

597.13519

189.1

[M]-

597.13629

189.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

848821-61-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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