CID 47003592

3-fluoroazepane hydrochloride

Structural Information

Molecular Formula
C6H12FN
SMILES
C1CCNCC(C1)F
InChI
InChI=1S/C6H12FN/c7-6-3-1-2-4-8-5-6/h6,8H,1-5H2
InChIKey
KXEWKVSEVOAHDZ-UHFFFAOYSA-N
Compound name
3-fluoroazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

117.095375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.10265 118.8
[M+Na]+ 140.08459 126.9
[M+NH4]+ 135.12920 126.5
[M+K]+ 156.05853 123.1
[M-H]- 116.08810 118.7
[M+Na-2H]- 138.07004 124.1
[M]+ 117.09483 119.7
[M]- 117.09592 119.7
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