CID 19023731

2,2-difluoro-n-methoxy-n-methylacetamide

Structural Information

Molecular Formula
C4H7F2NO2
SMILES
CN(C(=O)C(F)F)OC
InChI
InChI=1S/C4H7F2NO2/c1-7(9-2)4(8)3(5)6/h3H,1-2H3
InChIKey
CUPRFYMJGQMIIC-UHFFFAOYSA-N
Compound name
2,2-difluoro-N-methoxy-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

139.04448 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05176 123.5
[M+Na]+ 162.03370 130.8
[M-H]- 138.03720 122.9
[M+NH4]+ 157.07830 145.3
[M+K]+ 178.00764 132.8
[M+H-H2O]+ 122.04174 116.8
[M+HCOO]- 184.04268 146.0
[M+CH3COO]- 198.05833 179.1
[M+Na-2H]- 160.01915 127.4
[M]+ 139.04393 122.8
[M]- 139.04503 122.8
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