CID 24693830

3-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde

Structural Information

Molecular Formula
C11H11F3O3
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC(F)(F)F
InChI
InChI=1S/C11H11F3O3/c1-2-16-10-5-8(6-15)3-4-9(10)17-7-11(12,13)14/h3-6H,2,7H2,1H3
InChIKey
GMZDKLDKQCRPFT-UHFFFAOYSA-N
Compound name
3-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.06602 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07330 149.1
[M+Na]+ 271.05524 158.3
[M-H]- 247.05874 149.1
[M+NH4]+ 266.09984 166.7
[M+K]+ 287.02918 156.0
[M+H-H2O]+ 231.06328 140.7
[M+HCOO]- 293.06422 169.1
[M+CH3COO]- 307.07987 192.8
[M+Na-2H]- 269.04069 153.8
[M]+ 248.06547 150.0
[M]- 248.06657 150.0
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