CID 131267587

Schembl21823818

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

8
Patents

263.93976 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94704 149.5
[M+Na]+ 286.92898 164.9
[M-H]- 262.93248 154.8
[M+NH4]+ 281.97358 172.0
[M+K]+ 302.90292 154.3
[M+H-H2O]+ 246.93702 148.7
[M+HCOO]- 308.93796 168.4
[M+CH3COO]- 322.95361 190.7
[M+Na-2H]- 284.91443 157.9
[M]+ 263.93921 167.7
[M]- 263.94031 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