CID 118798541

4,4,5-trifluoroazepane hydrochloride

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1CNCCC(C1F)(F)F
InChI
InChI=1S/C6H10F3N/c7-5-1-3-10-4-2-6(5,8)9/h5,10H,1-4H2
InChIKey
GCOKDTWCUXXFFE-UHFFFAOYSA-N
Compound name
4,4,5-trifluoroazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07654 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 118.4
[M+Na]+ 176.065758 123.5
[M-H]- 152.069264 116.4
[M+NH4]+ 171.110363 137.8
[M+K]+ 192.039698 125.1
[M+H-H2O]+ 136.073800 110.9
[M+HCOO]- 198.074741 133.2
[M+CH3COO]- 212.090391 174.7
[M+Na-2H]- 174.051206 123.6
[M]+ 153.07599142 106.0
[M]- 153.07708858 106.0
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.