CID 12772885

2-(trifluoromethyl)furan

Structural Information

Molecular Formula
C5H3F3O
SMILES
C1=COC(=C1)C(F)(F)F
InChI
InChI=1S/C5H3F3O/c6-5(7,8)4-2-1-3-9-4/h1-3H
InChIKey
JNYRNWKNBRPKJH-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

136.0136 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02088 117.7
[M+Na]+ 159.00282 127.4
[M-H]- 135.00632 118.6
[M+NH4]+ 154.04742 140.0
[M+K]+ 174.97676 127.4
[M+H-H2O]+ 119.01086 111.1
[M+HCOO]- 181.01180 138.9
[M+CH3COO]- 195.02745 169.3
[M+Na-2H]- 156.98827 125.8
[M]+ 136.01305 114.8
[M]- 136.01415 114.8
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