CID 50998866

Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate

Structural Information

Molecular Formula
C10H9ClF3NO2
SMILES
CCOC(=O)CC1=C(C=C(C=N1)C(F)(F)F)Cl
InChI
InChI=1S/C10H9ClF3NO2/c1-2-17-9(16)4-8-7(11)3-6(5-15-8)10(12,13)14/h3,5H,2,4H2,1H3
InChIKey
HBEAWNJFMWZYFY-UHFFFAOYSA-N
Compound name
ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.0274 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03468 150.0
[M+Na]+ 290.01662 160.3
[M-H]- 266.02012 148.8
[M+NH4]+ 285.06122 166.5
[M+K]+ 305.99056 156.1
[M+H-H2O]+ 250.02466 141.9
[M+HCOO]- 312.02560 163.3
[M+CH3COO]- 326.04125 194.3
[M+Na-2H]- 288.00207 153.8
[M]+ 267.02685 151.0
[M]- 267.02795 151.0
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