CID 10035

463-31-0

Structural Information

Molecular Formula
C9H16FNO
SMILES
C(CCOCCCCF)CC#N
InChI
InChI=1S/C9H16FNO/c10-6-2-5-9-12-8-4-1-3-7-11/h1-6,8-9H2
InChIKey
VQQZZGDDUPEHAX-UHFFFAOYSA-N
Compound name
5-(4-fluorobutoxy)pentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1216 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12888 131.8
[M+Na]+ 196.11082 139.8
[M-H]- 172.11432 130.9
[M+NH4]+ 191.15542 150.4
[M+K]+ 212.08476 138.7
[M+H-H2O]+ 156.11886 119.5
[M+HCOO]- 218.11980 150.8
[M+CH3COO]- 232.13545 194.5
[M+Na-2H]- 194.09627 137.4
[M]+ 173.12105 129.5
[M]- 173.12215 129.5
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.