CID 138991282

2309462-55-1

Structural Information

Molecular Formula
C5H8FN
SMILES
C1C2CC1(CN2)F
InChI
InChI=1S/C5H8FN/c6-5-1-4(2-5)7-3-5/h4,7H,1-3H2
InChIKey
XDCLELBDNAPMJH-UHFFFAOYSA-N
Compound name
4-fluoro-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

101.06408 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.07136 123.2
[M+Na]+ 124.05330 130.7
[M-H]- 100.05680 121.2
[M+NH4]+ 119.09790 147.0
[M+K]+ 140.02724 131.2
[M+H-H2O]+ 84.061340 115.7
[M+HCOO]- 146.06228 139.5
[M+CH3COO]- 160.07793 136.2
[M+Na-2H]- 122.03875 131.8
[M]+ 101.06353 131.7
[M]- 101.06463 131.7
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

patents stripe