CID 12947677

3-fluoro-2-hydroxy-3-methylbutanenitrile

Structural Information

Molecular Formula
C5H8FNO
SMILES
CC(C)(C(C#N)O)F
InChI
InChI=1S/C5H8FNO/c1-5(2,6)4(8)3-7/h4,8H,1-2H3
InChIKey
UZZMXVFPHZAAJR-UHFFFAOYSA-N
Compound name
3-fluoro-2-hydroxy-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.05899 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06627 122.1
[M+Na]+ 140.04821 131.2
[M-H]- 116.05171 121.0
[M+NH4]+ 135.09281 142.0
[M+K]+ 156.02215 131.2
[M+H-H2O]+ 100.05625 111.3
[M+HCOO]- 162.05719 138.5
[M+CH3COO]- 176.07284 182.1
[M+Na-2H]- 138.03366 127.9
[M]+ 117.05844 115.5
[M]- 117.05954 115.5
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

patents stripe