CID 132354127

3-bromo-5-(trifluoromethyl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C6H2BrF3O2
SMILES
C1=C(OC(=C1Br)C=O)C(F)(F)F
InChI
InChI=1S/C6H2BrF3O2/c7-3-1-5(6(8,9)10)12-4(3)2-11/h1-2H
InChIKey
HIMNYMHXKFYMEM-UHFFFAOYSA-N
Compound name
3-bromo-5-(trifluoromethyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.91904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92632 141.5
[M+Na]+ 264.90826 156.0
[M-H]- 240.91176 145.6
[M+NH4]+ 259.95286 163.5
[M+K]+ 280.88220 146.2
[M+H-H2O]+ 224.91630 140.6
[M+HCOO]- 286.91724 160.4
[M+CH3COO]- 300.93289 186.0
[M+Na-2H]- 262.89371 148.2
[M]+ 241.91849 158.8
[M]- 241.91959 158.8
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

No patent data available for this compound.