CID 102458361

Ethyl 2-(6-chloropyridin-3-yl)-2,2-difluoroacetate

Structural Information

Molecular Formula
C9H8ClF2NO2
SMILES
CCOC(=O)C(C1=CN=C(C=C1)Cl)(F)F
InChI
InChI=1S/C9H8ClF2NO2/c1-2-15-8(14)9(11,12)6-3-4-7(10)13-5-6/h3-5H,2H2,1H3
InChIKey
MOODARGYEGTZII-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloropyridin-3-yl)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

235.02116 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02844 143.2
[M+Na]+ 258.01038 152.9
[M-H]- 234.01388 143.1
[M+NH4]+ 253.05498 160.7
[M+K]+ 273.98432 149.3
[M+H-H2O]+ 218.01842 136.0
[M+HCOO]- 280.01936 157.9
[M+CH3COO]- 294.03501 188.0
[M+Na-2H]- 255.99583 148.8
[M]+ 235.02061 144.7
[M]- 235.02171 144.7
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