CID 165672081

3-(2-fluoroethyl)azetidine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H9FN2
SMILES
C1C(CN1)(CCF)C#N
InChI
InChI=1S/C6H9FN2/c7-2-1-6(3-8)4-9-5-6/h9H,1-2,4-5H2
InChIKey
ZSQMHQUKFWEFNQ-UHFFFAOYSA-N
Compound name
3-(2-fluoroethyl)azetidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.07498 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.08226 118.9
[M+Na]+ 151.06420 126.7
[M-H]- 127.06770 118.9
[M+NH4]+ 146.10880 133.0
[M+K]+ 167.03814 128.5
[M+H-H2O]+ 111.07224 103.0
[M+HCOO]- 173.07318 134.6
[M+CH3COO]- 187.08883 185.3
[M+Na-2H]- 149.04965 126.1
[M]+ 128.07443 118.6
[M]- 128.07553 118.6
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.