CID 57582369

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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 147.1
[M+Na]+ 276.94463 158.8
[M-H]- 252.94813 148.7
[M+NH4]+ 271.98923 167.2
[M+K]+ 292.91857 147.1
[M+H-H2O]+ 236.95267 145.6
[M+HCOO]- 298.95361 162.7
[M+CH3COO]- 312.96926 187.8
[M+Na-2H]- 274.93008 152.7
[M]+ 253.95486 160.5
[M]- 253.95596 160.5
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