CID 55267719

Ethyl 2,2-difluoroethanecarboximidate

Structural Information

Molecular Formula
C4H7F2NO
SMILES
CCOC(=N)C(F)F
InChI
InChI=1S/C4H7F2NO/c1-2-8-4(7)3(5)6/h3,7H,2H2,1H3
InChIKey
HWLMPFHCNWKLLT-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoroethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

123.04957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05685 121.1
[M+Na]+ 146.03879 128.2
[M-H]- 122.04229 119.0
[M+NH4]+ 141.08339 143.0
[M+K]+ 162.01273 128.4
[M+H-H2O]+ 106.04683 114.8
[M+HCOO]- 168.04777 142.9
[M+CH3COO]- 182.06342 173.4
[M+Na-2H]- 144.02424 125.7
[M]+ 123.04902 117.7
[M]- 123.05012 117.7
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