CID 105427213

3-(difluoromethyl)oxetan-3-amine

Structural Information

Molecular Formula
C4H7F2NO
SMILES
C1C(CO1)(C(F)F)N
InChI
InChI=1S/C4H7F2NO/c5-3(6)4(7)1-8-2-4/h3H,1-2,7H2
InChIKey
YKHSRUKDCLHZSS-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

123.04957 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05685 121.5
[M+Na]+ 146.03879 127.5
[M-H]- 122.04229 123.0
[M+NH4]+ 141.08339 137.2
[M+K]+ 162.01273 131.4
[M+H-H2O]+ 106.04683 110.8
[M+HCOO]- 168.04777 140.7
[M+CH3COO]- 182.06342 174.6
[M+Na-2H]- 144.02424 128.0
[M]+ 123.04902 125.3
[M]- 123.05012 125.3
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