CID 21079740

3-bromo-5-(trifluoromethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
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

No literature data available for this compound.

Patent stripe

patents stripe