CID 55290751

3-amino-2,2-difluoropropan-1-ol

Structural Information

Molecular Formula
C3H7F2NO
SMILES
C(C(CO)(F)F)N
InChI
InChI=1S/C3H7F2NO/c4-3(5,1-6)2-7/h7H,1-2,6H2
InChIKey
IUZGHWSIJQTEAD-UHFFFAOYSA-N
Compound name
3-amino-2,2-difluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

111.04957 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05685 117.8
[M+Na]+ 134.03879 125.4
[M-H]- 110.04229 114.0
[M+NH4]+ 129.08339 139.3
[M+K]+ 150.01273 124.6
[M+H-H2O]+ 94.046830 112.3
[M+HCOO]- 156.04777 137.9
[M+CH3COO]- 170.06342 167.2
[M+Na-2H]- 132.02424 124.4
[M]+ 111.04902 112.6
[M]- 111.05012 112.6
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