CID 721838

306936-00-5

Structural Information

Molecular Formula
C12H7F3O3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C=O)OC(F)(F)F
InChI
InChI=1S/C12H7F3O3/c13-12(14,15)18-11-4-2-1-3-9(11)10-6-5-8(7-16)17-10/h1-7H
InChIKey
UTGWIIGCXFJJHZ-UHFFFAOYSA-N
Compound name
5-[2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

42
Patents

256.03473 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.042006 148.8
[M+Na]+ 279.023948 159.0
[M-H]- 255.027454 153.1
[M+NH4]+ 274.068553 166.3
[M+K]+ 294.997888 156.9
[M+H-H2O]+ 239.031990 140.4
[M+HCOO]- 301.032931 169.8
[M+CH3COO]- 315.048581 191.4
[M+Na-2H]- 277.009396 154.1
[M]+ 256.03418142 149.0
[M]- 256.03527858 149.0
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