CID 57991

100700-39-8

Structural Information

Molecular Formula
C4H6FNO
SMILES
C(CF)C(C#N)O
InChI
InChI=1S/C4H6FNO/c5-2-1-4(7)3-6/h4,7H,1-2H2
InChIKey
JWCDABBCLIMHNC-UHFFFAOYSA-N
Compound name
4-fluoro-2-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

103.04334 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05062 115.0
[M+Na]+ 126.03256 124.2
[M-H]- 102.03606 113.7
[M+NH4]+ 121.07716 135.3
[M+K]+ 142.00650 123.9
[M+H-H2O]+ 86.040600 103.8
[M+HCOO]- 148.04154 133.2
[M+CH3COO]- 162.05719 179.1
[M+Na-2H]- 124.01801 121.1
[M]+ 103.04279 108.6
[M]- 103.04389 108.6
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