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

31
Patents

117.095375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.102651 116.9
[M+Na]+ 140.084593 120.2
[M-H]- 116.088099 116.8
[M+NH4]+ 135.129198 135.6
[M+K]+ 156.058533 122.7
[M+H-H2O]+ 100.092635 110.5
[M+HCOO]- 162.093576 133.7
[M+CH3COO]- 176.109226 168.8
[M+Na-2H]- 138.070041 122.7
[M]+ 117.09482642 106.2
[M]- 117.09592358 106.2
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