CID 30668

Lofexidine

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKey
KSMAGQUYOIHWFS-UHFFFAOYSA-N
Compound name
2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

209
References

5863
Patents

258.03265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03993 154.0
[M+Na]+ 281.02187 162.8
[M-H]- 257.02537 155.9
[M+NH4]+ 276.06647 170.4
[M+K]+ 296.99581 156.9
[M+H-H2O]+ 241.02991 146.9
[M+HCOO]- 303.03085 163.8
[M+CH3COO]- 317.04650 165.2
[M+Na-2H]- 279.00732 155.6
[M]+ 258.03210 154.9
[M]- 258.03320 154.9
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.