CID 22277307

4-bromo-3-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H4BrF3O
SMILES
C1=CC(=C(C=C1O)C(F)(F)F)Br
InChI
InChI=1S/C7H4BrF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChIKey
VOWPIDJSINRFPZ-UHFFFAOYSA-N
Compound name
4-bromo-3-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

382
Patents

239.93976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94704 141.6
[M+Na]+ 262.92898 154.8
[M-H]- 238.93248 143.6
[M+NH4]+ 257.97358 162.5
[M+K]+ 278.90292 142.9
[M+H-H2O]+ 222.93702 140.3
[M+HCOO]- 284.93796 158.4
[M+CH3COO]- 298.95361 185.3
[M+Na-2H]- 260.91443 148.3
[M]+ 239.93921 155.5
[M]- 239.94031 155.5
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