CID 84714198

2-bromo-4-chloro-6-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H3BrClF3O
SMILES
C1=C(C=C(C(=C1C(F)(F)F)O)Br)Cl
InChI
InChI=1S/C7H3BrClF3O/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2,13H
InChIKey
RKKYSUOIHXTBMK-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-6-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

273.9008 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.908076 144.5
[M+Na]+ 296.890018 159.6
[M-H]- 272.893524 146.8
[M+NH4]+ 291.934623 165.4
[M+K]+ 312.863958 145.7
[M+H-H2O]+ 256.898060 144.2
[M+HCOO]- 318.899001 157.1
[M+CH3COO]- 332.914651 190.0
[M+Na-2H]- 294.875466 150.5
[M]+ 273.90025142 160.8
[M]- 273.90134858 160.8
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