CID 64536004

1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-2-methylpropan-2-amine hydrochloride

Structural Information

Molecular Formula
C10H12ClF3N2O
SMILES
CC(C)(COC1=C(C=C(C=N1)C(F)(F)F)Cl)N
InChI
InChI=1S/C10H12ClF3N2O/c1-9(2,15)5-17-8-7(11)3-6(4-16-8)10(12,13)14/h3-4H,5,15H2,1-2H3
InChIKey
NXQRVHCODBHGKZ-UHFFFAOYSA-N
Compound name
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.05902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.066296 154.5
[M+Na]+ 291.048238 164.2
[M-H]- 267.051744 152.8
[M+NH4]+ 286.092843 170.5
[M+K]+ 307.022178 159.6
[M+H-H2O]+ 251.056280 146.5
[M+HCOO]- 313.057221 167.1
[M+CH3COO]- 327.072871 197.7
[M+Na-2H]- 289.033686 159.3
[M]+ 268.05847142 153.0
[M]- 268.05956858 153.0
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

patents stripe