CID 21819750

2-methyl-4-(trifluoromethyl)furan

Structural Information

Molecular Formula
C6H5F3O
SMILES
CC1=CC(=CO1)C(F)(F)F
InChI
InChI=1S/C6H5F3O/c1-4-2-5(3-10-4)6(7,8)9/h2-3H,1H3
InChIKey
JYUOZYKKKGDMKH-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

150.02925 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03653 122.0
[M+Na]+ 173.01847 132.2
[M-H]- 149.02197 123.1
[M+NH4]+ 168.06307 144.1
[M+K]+ 188.99241 131.9
[M+H-H2O]+ 133.02651 115.5
[M+HCOO]- 195.02745 142.8
[M+CH3COO]- 209.04310 173.5
[M+Na-2H]- 171.00392 128.9
[M]+ 150.02870 119.8
[M]- 150.02980 119.8
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