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)-2-pyridinyl]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]+ 268.034676 150.0
[M+Na]+ 290.016618 160.3
[M-H]- 266.020124 148.8
[M+NH4]+ 285.061223 166.5
[M+K]+ 305.990558 156.1
[M+H-H2O]+ 250.024660 141.9
[M+HCOO]- 312.025601 163.3
[M+CH3COO]- 326.041251 194.3
[M+Na-2H]- 288.002066 153.8
[M]+ 267.02685142 151.0
[M]- 267.02794858 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