CID 9167229

8-chloro-3,4-dihydro-2h-1,5-benzodioxepin-7-amine hydrochloride

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
C1COC2=C(C=C(C(=C2)N)Cl)OC1
InChI
InChI=1S/C9H10ClNO2/c10-6-4-8-9(5-7(6)11)13-3-1-2-12-8/h4-5H,1-3,11H2
InChIKey
XUCSCYDXCNOSIK-UHFFFAOYSA-N
Compound name
7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

199.04001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 136.5
[M+Na]+ 222.029228 144.2
[M-H]- 198.032734 142.7
[M+NH4]+ 217.073833 153.8
[M+K]+ 238.003168 147.1
[M+H-H2O]+ 182.037270 131.9
[M+HCOO]- 244.038211 152.2
[M+CH3COO]- 258.053861 149.6
[M+Na-2H]- 220.014676 144.7
[M]+ 199.03946142 134.4
[M]- 199.04055858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.