CID 2794605

2-(bromomethyl)-5-(trifluoromethyl)furan

Structural Information

Molecular Formula
C6H4BrF3O
SMILES
C1=C(OC(=C1)C(F)(F)F)CBr
InChI
InChI=1S/C6H4BrF3O/c7-3-4-1-2-5(11-4)6(8,9)10/h1-2H,3H2
InChIKey
YNHVBNGRNNVEMD-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-(trifluoromethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

595
Patents

227.93976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.94704 141.1
[M+Na]+ 250.92898 154.6
[M-H]- 226.93248 144.9
[M+NH4]+ 245.97358 163.6
[M+K]+ 266.90292 145.0
[M+H-H2O]+ 210.93702 140.1
[M+HCOO]- 272.93796 159.6
[M+CH3COO]- 286.95361 184.0
[M+Na-2H]- 248.91443 148.2
[M]+ 227.93921 157.4
[M]- 227.94031 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe