CID 162819

57281-46-6

Structural Information

Molecular Formula
C13H19Cl2NO2
SMILES
CC(C)NCCC(COC1=C(C(=CC=C1)Cl)Cl)O
InChI
InChI=1S/C13H19Cl2NO2/c1-9(2)16-7-6-10(17)8-18-12-5-3-4-11(14)13(12)15/h3-5,9-10,16-17H,6-8H2,1-2H3
InChIKey
SUYVGIJUAPYMRD-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenoxy)-4-(propan-2-ylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07928 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08656 163.9
[M+Na]+ 314.06850 170.8
[M-H]- 290.07200 165.4
[M+NH4]+ 309.11310 180.2
[M+K]+ 330.04244 165.5
[M+H-H2O]+ 274.07654 159.6
[M+HCOO]- 336.07748 175.7
[M+CH3COO]- 350.09313 201.9
[M+Na-2H]- 312.05395 164.8
[M]+ 291.07873 168.3
[M]- 291.07983 168.3
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