CID 112563311

3-ethynyl-3-fluoroazetidine hydrochloride

Structural Information

Molecular Formula
C5H6FN
SMILES
C#CC1(CNC1)F
InChI
InChI=1S/C5H6FN/c1-2-5(6)3-7-4-5/h1,7H,3-4H2
InChIKey
VKFVNORDYUVACW-UHFFFAOYSA-N
Compound name
3-ethynyl-3-fluoroazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.04842 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05570 111.5
[M+Na]+ 122.03764 120.4
[M-H]- 98.041144 110.8
[M+NH4]+ 117.08224 126.5
[M+K]+ 138.01158 121.4
[M+H-H2O]+ 82.045680 96.8
[M+HCOO]- 144.04662 125.5
[M+CH3COO]- 158.06227 176.3
[M+Na-2H]- 120.02309 118.7
[M]+ 99.047871 110.1
[M]- 99.048969 110.1
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.