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

30
Patents

271.94598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.953256 148.8
[M+Na]+ 294.935198 162.9
[M-H]- 270.938704 151.0
[M+NH4]+ 289.979803 169.4
[M+K]+ 310.909138 151.3
[M+H-H2O]+ 254.943240 146.4
[M+HCOO]- 316.944181 165.7
[M+CH3COO]- 330.959831 194.4
[M+Na-2H]- 292.920646 154.1
[M]+ 271.94543142 163.9
[M]- 271.94652858 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