CID 12823076

8-chloro-2,3-dihydro-1,4-benzodioxin-6-amine

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
C1COC2=C(O1)C=C(C=C2Cl)N
InChI
InChI=1S/C8H8ClNO2/c9-6-3-5(10)4-7-8(6)12-2-1-11-7/h3-4H,1-2,10H2
InChIKey
BPHSLNIDKYEFMN-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1,4-benzodioxin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.9
[M+Na]+ 208.01357 148.1
[M+NH4]+ 203.05817 143.7
[M+K]+ 223.98751 141.8
[M-H]- 184.01707 140.0
[M+Na-2H]- 205.99902 139.7
[M]+ 185.02380 138.0
[M]- 185.02490 138.0
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