CID 22122656

7-chloro-2,3-dihydro-1,4-benzodioxin-5-amine hydrochloride

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
C1COC2=C(C=C(C=C2O1)Cl)N
InChI
InChI=1S/C8H8ClNO2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2,10H2
InChIKey
OYXNWVWNAJBYFI-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1,4-benzodioxin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

185.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.031626 135.4
[M+Na]+ 208.013568 144.6
[M-H]- 184.017074 140.8
[M+NH4]+ 203.058173 154.3
[M+K]+ 223.987508 143.2
[M+H-H2O]+ 168.021610 130.5
[M+HCOO]- 230.022551 151.6
[M+CH3COO]- 244.038201 149.2
[M+Na-2H]- 205.999016 144.4
[M]+ 185.02380142 136.2
[M]- 185.02489858 136.2
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

patents stripe