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

11
Patents

164.00851 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01579 123.8
[M+Na]+ 186.99773 134.3
[M-H]- 163.00123 125.0
[M+NH4]+ 182.04233 145.2
[M+K]+ 202.97167 133.9
[M+H-H2O]+ 147.00577 117.2
[M+HCOO]- 209.00671 145.1
[M+CH3COO]- 223.02236 174.5
[M+Na-2H]- 184.98318 130.9
[M]+ 164.00796 122.4
[M]- 164.00906 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