CID 117010

Chloro((alpha-(dimethylamino)-p-(trifluoromethyl)benzyl)oxy)magnesium

Structural Information

Molecular Formula

C₁₀H₁₂F₃NO

SMILES

CN(C)C(C1=CC=C(C=C1)C(F)(F)F)O

InChI

InChI=1S/C10H12F3NO/c1-14(2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,15H,1-2H3

InChIKey

FEUBNONWHJOIMC-UHFFFAOYSA-N

Compound name

dimethylamino-[4-(trifluoromethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.0871 Da
Monoisotopic Mass: 2.1
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]+	220.094376	144.0
[M+Na]+	242.076318	151.2
[M-H]-	218.079824	144.0
[M+NH4]+	237.120923	162.3
[M+K]+	258.050258	149.6
[M+H-H2O]+	202.084360	135.8
[M+HCOO]-	264.085301	162.7
[M+CH3COO]-	278.100951	192.0
[M+Na-2H]-	240.061766	147.7
[M]+	219.08655142	139.9
[M]-	219.08764858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.