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

0
Patents

248.06602 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.073296 149.1
[M+Na]+ 271.055238 158.3
[M-H]- 247.058744 149.1
[M+NH4]+ 266.099843 166.7
[M+K]+ 287.029178 156.0
[M+H-H2O]+ 231.063280 140.7
[M+HCOO]- 293.064221 169.1
[M+CH3COO]- 307.079871 192.8
[M+Na-2H]- 269.040686 153.8
[M]+ 248.06547142 150.0
[M]- 248.06656858 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