CID 18628060

2-amino-1-(2,4,6-trichlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8Cl3NO
SMILES
C1=C(C=C(C(=C1Cl)C(CN)O)Cl)Cl
InChI
InChI=1S/C8H8Cl3NO/c9-4-1-5(10)8(6(11)2-4)7(13)3-12/h1-2,7,13H,3,12H2
InChIKey
QSNANZBMLQRMRT-UHFFFAOYSA-N
Compound name
2-amino-1-(2,4,6-trichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

238.96715 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97443 144.8
[M+Na]+ 261.95637 154.8
[M-H]- 237.95987 145.5
[M+NH4]+ 257.00097 163.1
[M+K]+ 277.93031 148.5
[M+H-H2O]+ 221.96441 142.5
[M+HCOO]- 283.96535 152.8
[M+CH3COO]- 297.98100 190.3
[M+Na-2H]- 259.94182 146.6
[M]+ 238.96660 145.8
[M]- 238.96770 145.8
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