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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 144.0
[M+Na]+ 242.07632 151.2
[M-H]- 218.07982 144.0
[M+NH4]+ 237.12092 162.3
[M+K]+ 258.05026 149.6
[M+H-H2O]+ 202.08436 135.8
[M+HCOO]- 264.08530 162.7
[M+CH3COO]- 278.10095 192.0
[M+Na-2H]- 240.06177 147.7
[M]+ 219.08655 139.9
[M]- 219.08765 139.9
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

No patent data available for this compound.