CID 21819746

4-(trifluoromethyl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C6H3F3O2
SMILES
C1=C(OC=C1C(F)(F)F)C=O
InChI
InChI=1S/C6H3F3O2/c7-6(8,9)4-1-5(2-10)11-3-4/h1-3H
InChIKey
HZXKGUWZFQJRBG-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.00851 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.015786 123.8
[M+Na]+ 186.997728 134.3
[M-H]- 163.001234 125.0
[M+NH4]+ 182.042333 145.2
[M+K]+ 202.971668 133.9
[M+H-H2O]+ 147.005770 117.2
[M+HCOO]- 209.006711 145.1
[M+CH3COO]- 223.022361 174.5
[M+Na-2H]- 184.983176 130.9
[M]+ 164.00796142 122.4
[M]- 164.00905858 122.4
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