CID 84656271

2-methyl-4-(trifluoromethyl)furan-3-carbaldehyde

Structural Information

Molecular Formula
C7H5F3O2
SMILES
CC1=C(C(=CO1)C(F)(F)F)C=O
InChI
InChI=1S/C7H5F3O2/c1-4-5(2-11)6(3-12-4)7(8,9)10/h2-3H,1H3
InChIKey
FXYAYNHZNIXOLX-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethyl)furan-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.02417 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03145 128.0
[M+Na]+ 201.01339 139.0
[M-H]- 177.01689 129.3
[M+NH4]+ 196.05799 149.1
[M+K]+ 216.98733 138.3
[M+H-H2O]+ 161.02143 121.5
[M+HCOO]- 223.02237 148.9
[M+CH3COO]- 237.03802 178.7
[M+Na-2H]- 198.99884 133.9
[M]+ 178.02362 127.3
[M]- 178.02472 127.3
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.