CID 84715994

2-(difluoromethoxy)ethan-1-amine

Structural Information

Molecular Formula
C3H7F2NO
SMILES
C(COC(F)F)N
InChI
InChI=1S/C3H7F2NO/c4-3(5)7-2-1-6/h3H,1-2,6H2
InChIKey
XVHQHDWOVYAABP-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

111.04957 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.056846 117.6
[M+Na]+ 134.038788 124.9
[M-H]- 110.042294 115.0
[M+NH4]+ 129.083393 139.7
[M+K]+ 150.012728 125.2
[M+H-H2O]+ 94.046830 111.3
[M+HCOO]- 156.047771 139.8
[M+CH3COO]- 170.063421 170.5
[M+Na-2H]- 132.024236 122.9
[M]+ 111.04902142 114.2
[M]- 111.05011858 114.2
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