CID 47003183

3-amino-1,1-difluorobutan-2-ol

Structural Information

Molecular Formula
C4H9F2NO
SMILES
CC(C(C(F)F)O)N
InChI
InChI=1S/C4H9F2NO/c1-2(7)3(8)4(5)6/h2-4,8H,7H2,1H3
InChIKey
SOYUYPDTPGLAEE-UHFFFAOYSA-N
Compound name
3-amino-1,1-difluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.06522 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07250 124.0
[M+Na]+ 148.05444 130.1
[M-H]- 124.05794 120.0
[M+NH4]+ 143.09904 144.7
[M+K]+ 164.02838 130.0
[M+H-H2O]+ 108.06248 117.8
[M+HCOO]- 170.06342 142.4
[M+CH3COO]- 184.07907 172.7
[M+Na-2H]- 146.03989 125.6
[M]+ 125.06467 117.7
[M]- 125.06577 117.7
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

No patent data available for this compound.