CID 23423062

1-(3-bromophenyl)-2,2,2-trifluoroethanol

Structural Information

Molecular Formula
C8H6BrF3O
SMILES
C1=CC(=CC(=C1)Br)C(C(F)(F)F)O
InChI
InChI=1S/C8H6BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChIKey
YJAXYKDDEAMXAW-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

253.95541 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96269 153.8
[M+Na]+ 276.94463 154.7
[M+NH4]+ 271.98923 156.5
[M+K]+ 292.91857 155.0
[M-H]- 252.94813 149.9
[M+Na-2H]- 274.93008 154.8
[M]+ 253.95486 151.5
[M]- 253.95596 151.5
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