CID 90419535

1628214-23-2

Structural Information

Molecular Formula

C₉H₁₆BrFN₂OSi

SMILES

C[Si](C)(C)CCOCN1C(=C(C=N1)Br)F

InChI

InChI=1S/C9H16BrFN2OSi/c1-15(2,3)5-4-14-7-13-9(11)8(10)6-12-13/h6H,4-5,7H2,1-3H3

InChIKey

KQKNETMVLWRCDG-UHFFFAOYSA-N

Compound name

2-[(4-bromo-5-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 294.01993 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

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]+	295.02721	158.8
[M+Na]+	317.00915	171.3
[M-H]-	293.01265	161.5
[M+NH4]+	312.05375	178.4
[M+K]+	332.98309	160.4
[M+H-H2O]+	277.01719	157.2
[M+HCOO]-	339.01813	176.5
[M+CH3COO]-	353.03378	196.9
[M+Na-2H]-	314.99460	163.6
[M]+	294.01938	179.7
[M]-	294.02048	179.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe