CID 18071400

7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride

Structural Information

Molecular Formula
C10H12FNO
SMILES
C1CC(C2=C(C=CC(=C2)F)OC1)N
InChI
InChI=1S/C10H12FNO/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9H,1-2,5,12H2
InChIKey
HUSRDWFFGZCVCI-UHFFFAOYSA-N
Compound name
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 134.6
[M+Na]+ 204.07951 144.4
[M+NH4]+ 199.12411 142.7
[M+K]+ 220.05345 140.0
[M-H]- 180.08301 137.6
[M+Na-2H]- 202.06496 139.8
[M]+ 181.08974 136.8
[M]- 181.09084 136.8
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.