CID 3063613

101221-50-5

Structural Information

Molecular Formula
C12H15Cl2NO3
SMILES
CN(CCO)CC1COC2=CC(=C(C=C2O1)Cl)Cl
InChI
InChI=1S/C12H15Cl2NO3/c1-15(2-3-16)6-8-7-17-11-4-9(13)10(14)5-12(11)18-8/h4-5,8,16H,2-3,6-7H2,1H3
InChIKey
SGVZSLQLULUCLN-UHFFFAOYSA-N
Compound name
2-[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0429 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05018 161.4
[M+Na]+ 314.03212 175.0
[M+NH4]+ 309.07672 170.0
[M+K]+ 330.00606 168.3
[M-H]- 290.03562 166.5
[M+Na-2H]- 312.01757 165.4
[M]+ 291.04235 165.4
[M]- 291.04345 165.4
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

No patent data available for this compound.