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 163.3
[M+Na]+ 314.03212 171.5
[M-H]- 290.03562 168.2
[M+NH4]+ 309.07672 178.7
[M+K]+ 330.00606 169.3
[M+H-H2O]+ 274.04016 158.4
[M+HCOO]- 336.04110 172.9
[M+CH3COO]- 350.05675 202.3
[M+Na-2H]- 312.01757 168.4
[M]+ 291.04235 168.8
[M]- 291.04345 168.8
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.