CID 62389738

3-amino-3-(3,5-dichlorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11Cl2NO
SMILES
C1=C(C=C(C=C1Cl)Cl)C(CCO)N
InChI
InChI=1S/C9H11Cl2NO/c10-7-3-6(4-8(11)5-7)9(12)1-2-13/h3-5,9,13H,1-2,12H2
InChIKey
GDDRJIHKCNSDRF-UHFFFAOYSA-N
Compound name
3-amino-3-(3,5-dichlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02177 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02905 143.8
[M+Na]+ 242.01099 152.7
[M-H]- 218.01449 145.3
[M+NH4]+ 237.05559 162.8
[M+K]+ 257.98493 146.9
[M+H-H2O]+ 202.01903 140.4
[M+HCOO]- 264.01997 156.9
[M+CH3COO]- 278.03562 186.6
[M+Na-2H]- 239.99644 146.9
[M]+ 219.02122 144.8
[M]- 219.02232 144.8
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.