CID 9794663

4-amino-3-(3,4-dichlorophenyl)-1-butanol

Structural Information

Molecular Formula
C10H13Cl2NO
SMILES
C1=CC(=C(C=C1C(CCO)CN)Cl)Cl
InChI
InChI=1S/C10H13Cl2NO/c11-9-2-1-7(5-10(9)12)8(6-13)3-4-14/h1-2,5,8,14H,3-4,6,13H2
InChIKey
LGIGCDLFWQIHLQ-UHFFFAOYSA-N
Compound name
4-amino-3-(3,4-dichlorophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

233.03741 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04469 148.5
[M+Na]+ 256.02663 156.9
[M-H]- 232.03013 149.7
[M+NH4]+ 251.07123 166.8
[M+K]+ 272.00057 150.9
[M+H-H2O]+ 216.03467 144.7
[M+HCOO]- 278.03561 161.2
[M+CH3COO]- 292.05126 189.6
[M+Na-2H]- 254.01208 150.9
[M]+ 233.03686 149.8
[M]- 233.03796 149.8
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

patents stripe