CID 43153235

9-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/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4,9H,2,5-6,12H2
InChIKey
RABQNHWEZGFKCN-UHFFFAOYSA-N
Compound name
9-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]+ 182.097566 131.1
[M+Na]+ 204.079508 137.1
[M-H]- 180.083014 135.7
[M+NH4]+ 199.124113 149.4
[M+K]+ 220.053448 139.7
[M+H-H2O]+ 164.087550 125.7
[M+HCOO]- 226.088491 150.5
[M+CH3COO]- 240.104141 143.8
[M+Na-2H]- 202.064956 138.1
[M]+ 181.08974142 124.5
[M]- 181.09083858 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.