PubChemLite - 1146629-74-4 (C27H29F12NOSi)

Structural Information

Molecular Formula

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

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]+	640.18998	241.2
[M+Na]+	662.17192	247.5
[M-H]-	638.17542	234.2
[M+NH4]+	657.21652	243.1
[M+K]+	678.14586	240.5
[M+H-H2O]+	622.17996	225.0
[M+HCOO]-	684.18090	234.1
[M+CH3COO]-	698.19655	257.4
[M+Na-2H]-	660.15737	239.0
[M]+	639.18215	222.8
[M]-	639.18325	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

640.18998

241.2

[M+Na]+

662.17192

247.5

[M-H]-

638.17542

234.2

[M+NH4]+

657.21652

243.1

[M+K]+

678.14586

240.5

[M+H-H2O]+

622.17996

225.0

[M+HCOO]-

684.18090

234.1

[M+CH3COO]-

698.19655

257.4

[M+Na-2H]-

660.15737

239.0

[M]+

639.18215

222.8

[M]-

639.18325

222.8

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

1146629-74-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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