CID 66545211

5-(1,3-dioxan-2-yl)-2-fluorobenzonitrile

Structural Information

Molecular Formula
C11H10FNO2
SMILES
C1COC(OC1)C2=CC(=C(C=C2)F)C#N
InChI
InChI=1S/C11H10FNO2/c12-10-3-2-8(6-9(10)7-13)11-14-4-1-5-15-11/h2-3,6,11H,1,4-5H2
InChIKey
GSWHWJOQQXLUGU-UHFFFAOYSA-N
Compound name
5-(1,3-dioxan-2-yl)-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06955 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07683 139.0
[M+Na]+ 230.05877 148.6
[M-H]- 206.06227 144.1
[M+NH4]+ 225.10337 153.5
[M+K]+ 246.03271 146.5
[M+H-H2O]+ 190.06681 125.0
[M+HCOO]- 252.06775 154.7
[M+CH3COO]- 266.08340 196.3
[M+Na-2H]- 228.04422 145.3
[M]+ 207.06900 131.8
[M]- 207.07010 131.8
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.