CID 67703

5-fluoropentanenitrile

Structural Information

Molecular Formula
C5H8FN
SMILES
C(CCF)CC#N
InChI
InChI=1S/C5H8FN/c6-4-2-1-3-5-7/h1-4H2
InChIKey
TZKGRFZSJHYEOY-UHFFFAOYSA-N
Compound name
5-fluoropentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

101.06408 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.07136 113.6
[M+Na]+ 124.05330 123.1
[M-H]- 100.05680 113.4
[M+NH4]+ 119.09790 134.8
[M+K]+ 140.02724 122.6
[M+H-H2O]+ 84.061340 102.2
[M+HCOO]- 146.06228 133.5
[M+CH3COO]- 160.07793 181.9
[M+Na-2H]- 122.03875 121.1
[M]+ 101.06353 108.7
[M]- 101.06463 108.7
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

patents stripe