CID 67363865

2-amino-2-(2,5-dichlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H9Cl2NO
SMILES
C1=CC(=C(C=C1Cl)C(CO)N)Cl
InChI
InChI=1S/C8H9Cl2NO/c9-5-1-2-7(10)6(3-5)8(11)4-12/h1-3,8,12H,4,11H2
InChIKey
GTRJRSYOEJFYII-UHFFFAOYSA-N
Compound name
2-amino-2-(2,5-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.00612 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01340 139.2
[M+Na]+ 227.99534 148.5
[M-H]- 203.99884 140.8
[M+NH4]+ 223.03994 158.7
[M+K]+ 243.96928 143.0
[M+H-H2O]+ 188.00338 135.9
[M+HCOO]- 250.00432 152.6
[M+CH3COO]- 264.01997 183.6
[M+Na-2H]- 225.98079 142.8
[M]+ 205.00557 139.8
[M]- 205.00667 139.8
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.