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 131.1
[M+Na]+ 204.07951 137.1
[M-H]- 180.08301 135.7
[M+NH4]+ 199.12411 149.4
[M+K]+ 220.05345 139.7
[M+H-H2O]+ 164.08755 125.7
[M+HCOO]- 226.08849 150.5
[M+CH3COO]- 240.10414 143.8
[M+Na-2H]- 202.06496 138.1
[M]+ 181.08974 124.5
[M]- 181.09084 124.5
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.