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]+ 269.06630 154.5
[M+Na]+ 291.04824 164.2
[M-H]- 267.05174 152.8
[M+NH4]+ 286.09284 170.5
[M+K]+ 307.02218 159.6
[M+H-H2O]+ 251.05628 146.5
[M+HCOO]- 313.05722 167.1
[M+CH3COO]- 327.07287 197.7
[M+Na-2H]- 289.03369 159.3
[M]+ 268.05847 153.0
[M]- 268.05957 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