CID 23000166

4-fluoro-3-(1-hydroxyethyl)benzonitrile

Structural Information

Molecular Formula
C9H8FNO
SMILES
CC(C1=C(C=CC(=C1)C#N)F)O
InChI
InChI=1S/C9H8FNO/c1-6(12)8-4-7(5-11)2-3-9(8)10/h2-4,6,12H,1H3
InChIKey
VGBGBXHRERPFKF-UHFFFAOYSA-N
Compound name
4-fluoro-3-(1-hydroxyethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

165.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 132.4
[M+Na]+ 188.04821 143.0
[M-H]- 164.05171 133.8
[M+NH4]+ 183.09281 150.7
[M+K]+ 204.02215 139.9
[M+H-H2O]+ 148.05625 120.2
[M+HCOO]- 210.05719 150.4
[M+CH3COO]- 224.07284 190.3
[M+Na-2H]- 186.03366 136.7
[M]+ 165.05844 126.0
[M]- 165.05954 126.0
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