CID 8024314

4-(4-fluorophenoxy)butanenitrile

Structural Information

Molecular Formula
C10H10FNO
SMILES
C1=CC(=CC=C1OCCCC#N)F
InChI
InChI=1S/C10H10FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,8H2
InChIKey
VKAVNVYGDUPOOW-UHFFFAOYSA-N
Compound name
4-(4-fluorophenoxy)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07465 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 134.1
[M+Na]+ 202.063868 144.1
[M-H]- 178.067374 136.1
[M+NH4]+ 197.108473 152.3
[M+K]+ 218.037808 141.0
[M+H-H2O]+ 162.071910 121.1
[M+HCOO]- 224.072851 154.1
[M+CH3COO]- 238.088501 193.7
[M+Na-2H]- 200.049316 140.3
[M]+ 179.07410142 130.0
[M]- 179.07519858 130.0
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

No patent data available for this compound.