CID 58347290

2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
CC(C1=CC=C(C=C1)Br)(C(F)(F)F)O
InChI
InChI=1S/C9H8BrF3O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6/h2-5,14H,1H3
InChIKey
ZWLWJQBJGOXGMA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

267.97107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.978346 152.2
[M+Na]+ 290.960288 164.2
[M-H]- 266.963794 153.9
[M+NH4]+ 286.004893 171.9
[M+K]+ 306.934228 152.2
[M+H-H2O]+ 250.968330 150.9
[M+HCOO]- 312.969271 166.9
[M+CH3COO]- 326.984921 190.3
[M+Na-2H]- 288.945736 159.1
[M]+ 267.97052142 166.0
[M]- 267.97161858 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe