CID 18368931

Ethyl 2-cyano-2,2-difluoroacetate

Structural Information

Molecular Formula
C5H5F2NO2
SMILES
CCOC(=O)C(C#N)(F)F
InChI
InChI=1S/C5H5F2NO2/c1-2-10-4(9)5(6,7)3-8/h2H2,1H3
InChIKey
UZLFSAIEQNZPEC-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

149.02884 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03612 123.3
[M+Na]+ 172.01806 132.9
[M-H]- 148.02156 122.1
[M+NH4]+ 167.06266 142.5
[M+K]+ 187.99200 133.3
[M+H-H2O]+ 132.02610 111.2
[M+HCOO]- 194.02704 140.5
[M+CH3COO]- 208.04269 187.3
[M+Na-2H]- 170.00351 129.2
[M]+ 149.02829 117.8
[M]- 149.02939 117.8
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