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

14
Patents

273.9008 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90808 144.5
[M+Na]+ 296.89002 159.6
[M-H]- 272.89352 146.8
[M+NH4]+ 291.93462 165.4
[M+K]+ 312.86396 145.7
[M+H-H2O]+ 256.89806 144.2
[M+HCOO]- 318.89900 157.1
[M+CH3COO]- 332.91465 190.0
[M+Na-2H]- 294.87547 150.5
[M]+ 273.90025 160.8
[M]- 273.90135 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