CID 721837

52130-30-0

Structural Information

Molecular Formula
C12H7F3O2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C=O
InChI
InChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H
InChIKey
MRVWKXZQBOFMAW-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

164
Patents

240.03981 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04709 156.7
[M+Na]+ 263.02903 167.1
[M+NH4]+ 258.07363 162.5
[M+K]+ 279.00297 162.9
[M-H]- 239.03253 156.3
[M+Na-2H]- 261.01448 161.5
[M]+ 240.03926 157.9
[M]- 240.04036 157.9
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