CID 131267587

2-bromo-6-(trifluoromethyl)benzofuran

Structural Information

Molecular Formula
C9H4BrF3O
SMILES
C1=CC2=C(C=C1C(F)(F)F)OC(=C2)Br
InChI
InChI=1S/C9H4BrF3O/c10-8-3-5-1-2-6(9(11,12)13)4-7(5)14-8/h1-4H
InChIKey
IXPJRSLXEUTQGT-UHFFFAOYSA-N
Compound name
2-bromo-6-(trifluoromethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

263.93976 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.947036 149.5
[M+Na]+ 286.928978 164.9
[M-H]- 262.932484 154.8
[M+NH4]+ 281.973583 172.0
[M+K]+ 302.902918 154.3
[M+H-H2O]+ 246.937020 148.7
[M+HCOO]- 308.937961 168.4
[M+CH3COO]- 322.953611 190.7
[M+Na-2H]- 284.914426 157.9
[M]+ 263.93921142 167.7
[M]- 263.94030858 167.7
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