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]+ 283.989236 156.0
[M+Na]+ 305.971178 167.1
[M-H]- 281.974684 157.0
[M+NH4]+ 301.015783 174.4
[M+K]+ 321.945118 154.4
[M+H-H2O]+ 265.979220 153.4
[M+HCOO]- 327.980161 171.4
[M+CH3COO]- 341.995811 195.7
[M+Na-2H]- 303.956626 159.4
[M]+ 282.98141142 168.2
[M]- 282.98250858 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.