CID 16227731

4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
C1=COC(=C1)C(CC#N)(C(F)(F)F)O
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)7(13,3-4-12)6-2-1-5-14-6/h1-2,5,13H,3H2
InChIKey
CJGDOTCKAOBEIY-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.03506 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04234 137.7
[M+Na]+ 228.02428 147.6
[M-H]- 204.02778 136.7
[M+NH4]+ 223.06888 154.3
[M+K]+ 243.99822 146.1
[M+H-H2O]+ 188.03232 124.1
[M+HCOO]- 250.03326 152.1
[M+CH3COO]- 264.04891 191.8
[M+Na-2H]- 226.00973 144.0
[M]+ 205.03451 129.9
[M]- 205.03561 129.9
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.