CID 6484252

855336-74-2

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
C1COC2=C(O1)C=C(C(=C2)Cl)N
InChI
InChI=1S/C8H8ClNO2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2,10H2
InChIKey
ILWFWTIQKGSLGF-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
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

literature stripe

Patent stripe

patents stripe