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

33
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 116.9
[M+Na]+ 140.08459 120.2
[M-H]- 116.08810 116.8
[M+NH4]+ 135.12920 135.6
[M+K]+ 156.05853 122.7
[M+H-H2O]+ 100.09264 110.5
[M+HCOO]- 162.09358 133.7
[M+CH3COO]- 176.10923 168.8
[M+Na-2H]- 138.07004 122.7
[M]+ 117.09483 106.2
[M]- 117.09592 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