CID 84762051

2-(3-fluorocyclobutyl)acetonitrile

Structural Information

Molecular Formula
C6H8FN
SMILES
C1C(CC1F)CC#N
InChI
InChI=1S/C6H8FN/c7-6-3-5(4-6)1-2-8/h5-6H,1,3-4H2
InChIKey
MVFNOZHFTYLSAW-UHFFFAOYSA-N
Compound name
2-(3-fluorocyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.06408 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.07136 112.0
[M+Na]+ 136.05330 120.4
[M-H]- 112.05680 114.8
[M+NH4]+ 131.09790 127.1
[M+K]+ 152.02724 123.2
[M+H-H2O]+ 96.061340 96.3
[M+HCOO]- 158.06228 130.3
[M+CH3COO]- 172.07793 186.8
[M+Na-2H]- 134.03875 118.4
[M]+ 113.06353 113.1
[M]- 113.06463 113.1
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.