CID 689080

2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride

Structural Information

Molecular Formula
C9H9ClF3NO
SMILES
CC1=C(C=CN=C1CCl)OCC(F)(F)F
InChI
InChI=1S/C9H9ClF3NO/c1-6-7(4-10)14-3-2-8(6)15-5-9(11,12)13/h2-3H,4-5H2,1H3
InChIKey
AENYCMZUDXQARW-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

239.03247 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03975 144.1
[M+Na]+ 262.02169 154.7
[M-H]- 238.02519 142.8
[M+NH4]+ 257.06629 161.8
[M+K]+ 277.99563 150.4
[M+H-H2O]+ 222.02973 136.0
[M+HCOO]- 284.03067 158.2
[M+CH3COO]- 298.04632 190.0
[M+Na-2H]- 260.00714 149.4
[M]+ 239.03192 144.6
[M]- 239.03302 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe