CID 131005836

2231677-03-3

Structural Information

Molecular Formula
C6H9F2NO
SMILES
C1C(CC1(F)F)C(=O)CN
InChI
InChI=1S/C6H9F2NO/c7-6(8)1-4(2-6)5(10)3-9/h4H,1-3,9H2
InChIKey
FPEUFPOKVTUWEF-UHFFFAOYSA-N
Compound name
2-amino-1-(3,3-difluorocyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

149.06522 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07250 130.6
[M+Na]+ 172.05444 137.0
[M-H]- 148.05794 131.5
[M+NH4]+ 167.09904 146.7
[M+K]+ 188.02838 138.8
[M+H-H2O]+ 132.06248 119.9
[M+HCOO]- 194.06342 150.2
[M+CH3COO]- 208.07907 180.8
[M+Na-2H]- 170.03989 134.2
[M]+ 149.06467 134.1
[M]- 149.06577 134.1
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