CID 132398562

4-bromo-2-(trifluoromethyl)furan

Structural Information

Molecular Formula
C5H2BrF3O
SMILES
C1=C(OC=C1Br)C(F)(F)F
InChI
InChI=1S/C5H2BrF3O/c6-3-1-4(10-2-3)5(7,8)9/h1-2H
InChIKey
LECHDGCZVYAQSL-UHFFFAOYSA-N
Compound name
4-bromo-2-(trifluoromethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.9241 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.93138 136.3
[M+Na]+ 236.91332 150.1
[M-H]- 212.91682 140.2
[M+NH4]+ 231.95792 159.2
[M+K]+ 252.88726 140.8
[M+H-H2O]+ 196.92136 135.5
[M+HCOO]- 258.92230 155.1
[M+CH3COO]- 272.93795 181.1
[M+Na-2H]- 234.89877 143.9
[M]+ 213.92355 152.2
[M]- 213.92465 152.2
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