CID 84762053

2-(1-fluorocyclobutyl)acetonitrile

Structural Information

Molecular Formula
C6H8FN
SMILES
C1CC(C1)(CC#N)F
InChI
InChI=1S/C6H8FN/c7-6(4-5-8)2-1-3-6/h1-4H2
InChIKey
ZSWHCOZTBKTPFA-UHFFFAOYSA-N
Compound name
2-(1-fluorocyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.06408 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.07136 114.3
[M+Na]+ 136.05330 122.9
[M-H]- 112.05680 117.3
[M+NH4]+ 131.09790 130.9
[M+K]+ 152.02724 125.0
[M+H-H2O]+ 96.061340 99.5
[M+HCOO]- 158.06228 132.6
[M+CH3COO]- 172.07793 185.5
[M+Na-2H]- 134.03875 122.1
[M]+ 113.06353 115.4
[M]- 113.06463 115.4
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.