CID 15373457

4,4,4-trifluoro-3-hydroxybutanenitrile

Structural Information

Molecular Formula
C4H4F3NO
SMILES
C(C#N)C(C(F)(F)F)O
InChI
InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1H2
InChIKey
NCKPCYRKCHNXIW-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

139.0245 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03178 131.3
[M+Na]+ 162.01372 138.9
[M+NH4]+ 157.05832 133.5
[M+K]+ 177.98766 131.9
[M-H]- 138.01722 119.0
[M+Na-2H]- 159.99917 130.8
[M]+ 139.02395 127.8
[M]- 139.02505 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.