CID 17948927

884498-41-3

Structural Information

Molecular Formula
C4H8F3NO
SMILES
C(C(CN)O)C(F)(F)F
InChI
InChI=1S/C4H8F3NO/c5-4(6,7)1-3(9)2-8/h3,9H,1-2,8H2
InChIKey
KZNGMHZLGGFBIH-UHFFFAOYSA-N
Compound name
1-amino-4,4,4-trifluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

143.0558 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.063076 125.2
[M+Na]+ 166.045018 132.3
[M-H]- 142.048524 120.0
[M+NH4]+ 161.089623 145.4
[M+K]+ 182.018958 131.3
[M+H-H2O]+ 126.053060 118.6
[M+HCOO]- 188.054001 143.0
[M+CH3COO]- 202.069651 173.3
[M+Na-2H]- 164.030466 129.5
[M]+ 143.05525142 118.4
[M]- 143.05634858 118.4
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