CID 9767

6-fluorohexanonitrile

Structural Information

Molecular Formula
C6H10FN
SMILES
C(CCC#N)CCF
InChI
InChI=1S/C6H10FN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey
XQPCYRPIZBEDDJ-UHFFFAOYSA-N
Compound name
6-fluorohexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.07973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.08701 117.6
[M+Na]+ 138.06895 126.7
[M-H]- 114.07245 117.3
[M+NH4]+ 133.11355 138.3
[M+K]+ 154.04289 126.0
[M+H-H2O]+ 98.076990 106.1
[M+HCOO]- 160.07793 137.3
[M+CH3COO]- 174.09358 184.6
[M+Na-2H]- 136.05440 124.6
[M]+ 115.07918 113.0
[M]- 115.08028 113.0
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.