CID 165949272

5-(2,2-diethoxyethyl)-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C12H16F3NO2
SMILES
CCOC(CC1=CN=C(C=C1)C(F)(F)F)OCC
InChI
InChI=1S/C12H16F3NO2/c1-3-17-11(18-4-2)7-9-5-6-10(16-8-9)12(13,14)15/h5-6,8,11H,3-4,7H2,1-2H3
InChIKey
POXYALXBDMEWAR-UHFFFAOYSA-N
Compound name
5-(2,2-diethoxyethyl)-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1133 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12058 157.2
[M+Na]+ 286.10252 164.6
[M-H]- 262.10602 155.3
[M+NH4]+ 281.14712 172.7
[M+K]+ 302.07646 162.4
[M+H-H2O]+ 246.11056 147.6
[M+HCOO]- 308.11150 174.1
[M+CH3COO]- 322.12715 196.9
[M+Na-2H]- 284.08797 160.8
[M]+ 263.11275 157.2
[M]- 263.11385 157.2
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.