CID 83853925

3-fluorocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C5H6FN
SMILES
C1C(CC1F)C#N
InChI
InChI=1S/C5H6FN/c6-5-1-4(2-5)3-7/h4-5H,1-2H2
InChIKey
OIFZJLTVCXMCIE-UHFFFAOYSA-N
Compound name
3-fluorocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.04842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05570 107.9
[M+Na]+ 122.03764 116.6
[M-H]- 98.041144 110.8
[M+NH4]+ 117.08224 123.4
[M+K]+ 138.01158 119.7
[M+H-H2O]+ 82.045680 92.4
[M+HCOO]- 144.04662 126.5
[M+CH3COO]- 158.06227 184.2
[M+Na-2H]- 120.02309 114.8
[M]+ 99.047871 108.7
[M]- 99.048969 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

No patent data available for this compound.