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

24
Patents

165.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 132.4
[M+Na]+ 188.048208 143.0
[M-H]- 164.051714 133.8
[M+NH4]+ 183.092813 150.7
[M+K]+ 204.022148 139.9
[M+H-H2O]+ 148.056250 120.2
[M+HCOO]- 210.057191 150.4
[M+CH3COO]- 224.072841 190.3
[M+Na-2H]- 186.033656 136.7
[M]+ 165.05844142 126.0
[M]- 165.05953858 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