CID 73553490

4-bromo-2-fluoro-6-(trifluoromethyl)anisole

Structural Information

Molecular Formula
C8H5BrF4O
SMILES
COC1=C(C=C(C=C1F)Br)C(F)(F)F
InChI
InChI=1S/C8H5BrF4O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3
InChIKey
JYIJZSRKYHZZBO-UHFFFAOYSA-N
Compound name
5-bromo-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

271.94598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95326 148.8
[M+Na]+ 294.93520 162.9
[M-H]- 270.93870 151.0
[M+NH4]+ 289.97980 169.4
[M+K]+ 310.90914 151.3
[M+H-H2O]+ 254.94324 146.4
[M+HCOO]- 316.94418 165.7
[M+CH3COO]- 330.95983 194.4
[M+Na-2H]- 292.92065 154.1
[M]+ 271.94543 163.9
[M]- 271.94653 163.9
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