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-methyl-3-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

215.07579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.083066 143.4
[M+Na]+ 238.065008 151.9
[M-H]- 214.068514 143.3
[M+NH4]+ 233.109613 160.9
[M+K]+ 254.038948 150.1
[M+H-H2O]+ 198.073050 135.4
[M+HCOO]- 260.073991 162.3
[M+CH3COO]- 274.089641 187.2
[M+Na-2H]- 236.050456 148.8
[M]+ 215.07524142 143.2
[M]- 215.07633858 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