CID 15063214

136568-65-5

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1=CC(=CC=C1C(CC#N)O)F
InChI
InChI=1S/C9H8FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5H2
InChIKey
KOQYEWYUZCTROP-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

165.05899 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe