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

182
Patents

239.93976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.947036 141.6
[M+Na]+ 262.928978 154.8
[M-H]- 238.932484 143.6
[M+NH4]+ 257.973583 162.5
[M+K]+ 278.902918 142.9
[M+H-H2O]+ 222.937020 140.3
[M+HCOO]- 284.937961 158.4
[M+CH3COO]- 298.953611 185.3
[M+Na-2H]- 260.914426 148.3
[M]+ 239.93921142 155.5
[M]- 239.94030858 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