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

20
Patents

185.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 135.4
[M+Na]+ 208.01357 144.6
[M-H]- 184.01707 140.8
[M+NH4]+ 203.05817 154.3
[M+K]+ 223.98751 143.2
[M+H-H2O]+ 168.02161 130.5
[M+HCOO]- 230.02255 151.6
[M+CH3COO]- 244.03820 149.2
[M+Na-2H]- 205.99902 144.4
[M]+ 185.02380 136.2
[M]- 185.02490 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