CID 5806

Dichloroisoproterenol

Structural Information

Molecular Formula
C11H15Cl2NO
SMILES
CC(C)NCC(C1=CC(=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKey
VKMGSWIFEHZQRS-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

129
References

385
Patents

247.05307 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06035 152.3
[M+Na]+ 270.04229 160.0
[M-H]- 246.04579 154.0
[M+NH4]+ 265.08689 170.3
[M+K]+ 286.01623 154.6
[M+H-H2O]+ 230.05033 148.5
[M+HCOO]- 292.05127 164.4
[M+CH3COO]- 306.06692 194.0
[M+Na-2H]- 268.02774 154.1
[M]+ 247.05252 154.4
[M]- 247.05362 154.4
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.