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]+ 166.066266 133.0
[M+Na]+ 188.048208 142.8
[M-H]- 164.051714 134.0
[M+NH4]+ 183.092813 151.0
[M+K]+ 204.022148 139.5
[M+H-H2O]+ 148.056250 120.5
[M+HCOO]- 210.057191 151.0
[M+CH3COO]- 224.072841 189.3
[M+Na-2H]- 186.033656 137.9
[M]+ 165.05844142 126.2
[M]- 165.05953858 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.