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]+ 180.08193 134.1
[M+Na]+ 202.06387 144.1
[M-H]- 178.06737 136.1
[M+NH4]+ 197.10847 152.3
[M+K]+ 218.03781 141.0
[M+H-H2O]+ 162.07191 121.1
[M+HCOO]- 224.07285 154.1
[M+CH3COO]- 238.08850 193.7
[M+Na-2H]- 200.04932 140.3
[M]+ 179.07410 130.0
[M]- 179.07520 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.