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]+ 200.04729 136.5
[M+Na]+ 222.02923 144.2
[M-H]- 198.03273 142.7
[M+NH4]+ 217.07383 153.8
[M+K]+ 238.00317 147.1
[M+H-H2O]+ 182.03727 131.9
[M+HCOO]- 244.03821 152.2
[M+CH3COO]- 258.05386 149.6
[M+Na-2H]- 220.01468 144.7
[M]+ 199.03946 134.4
[M]- 199.04056 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.