CID 91647748

2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H9BrF3NO
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)C(CO)N
InChI
InChI=1S/C9H9BrF3NO/c10-5-1-2-6(8(14)4-15)7(3-5)9(11,12)13/h1-3,8,15H,4,14H2
InChIKey
YKSJIIVDGSXRGG-UHFFFAOYSA-N
Compound name
2-amino-2-[4-bromo-2-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.98196 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98924 156.0
[M+Na]+ 305.97118 167.1
[M-H]- 281.97468 157.0
[M+NH4]+ 301.01578 174.4
[M+K]+ 321.94512 154.4
[M+H-H2O]+ 265.97922 153.4
[M+HCOO]- 327.98016 171.4
[M+CH3COO]- 341.99581 195.7
[M+Na-2H]- 303.95663 159.4
[M]+ 282.98141 168.2
[M]- 282.98251 168.2
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.