CID 63157509

Ethyl 2,2-difluoro-2-(6-methylpyridin-3-yl)acetate

Structural Information

Molecular Formula
C10H11F2NO2
SMILES
CCOC(=O)C(C1=CN=C(C=C1)C)(F)F
InChI
InChI=1S/C10H11F2NO2/c1-3-15-9(14)10(11,12)8-5-4-7(2)13-6-8/h4-6H,3H2,1-2H3
InChIKey
ZXADEANRRGOUFQ-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-(6-methylpyridin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

215.07579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08307 143.4
[M+Na]+ 238.06501 151.9
[M-H]- 214.06851 143.3
[M+NH4]+ 233.10961 160.9
[M+K]+ 254.03895 150.1
[M+H-H2O]+ 198.07305 135.4
[M+HCOO]- 260.07399 162.3
[M+CH3COO]- 274.08964 187.2
[M+Na-2H]- 236.05046 148.8
[M]+ 215.07524 143.2
[M]- 215.07634 143.2
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

patents stripe