CID 105530295

5,5-difluoroazepan-4-ol hydrochloride

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1CNCCC(C1O)(F)F
InChI
InChI=1S/C6H11F2NO/c7-6(8)2-4-9-3-1-5(6)10/h5,9-10H,1-4H2
InChIKey
LHAFZUASZMYADX-UHFFFAOYSA-N
Compound name
5,5-difluoroazepan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

151.08087 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.088146 121.6
[M+Na]+ 174.070088 126.2
[M-H]- 150.073594 119.6
[M+NH4]+ 169.114693 140.4
[M+K]+ 190.044028 128.0
[M+H-H2O]+ 134.078130 115.0
[M+HCOO]- 196.079071 136.1
[M+CH3COO]- 210.094721 171.4
[M+Na-2H]- 172.055536 126.7
[M]+ 151.08032142 109.9
[M]- 151.08141858 109.9
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