CID 74947673

4-(2-fluoro-1-hydroxyethyl)benzonitrile

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1=CC(=CC=C1C#N)C(CF)O
InChI
InChI=1S/C9H8FNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4,9,12H,5H2
InChIKey
YWDWJWQHEJOOSI-UHFFFAOYSA-N
Compound name
4-(2-fluoro-1-hydroxyethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05899 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 133.0
[M+Na]+ 188.04821 142.8
[M-H]- 164.05171 134.0
[M+NH4]+ 183.09281 151.0
[M+K]+ 204.02215 139.5
[M+H-H2O]+ 148.05625 120.5
[M+HCOO]- 210.05719 151.0
[M+CH3COO]- 224.07284 189.3
[M+Na-2H]- 186.03366 137.9
[M]+ 165.05844 126.2
[M]- 165.05954 126.2
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.