CID 693285

4-(difluoromethoxy)-3-ethoxybenzaldehyde

Structural Information

Molecular Formula
C10H10F2O3
SMILES
CCOC1=C(C=CC(=C1)C=O)OC(F)F
InChI
InChI=1S/C10H10F2O3/c1-2-14-9-5-7(6-13)3-4-8(9)15-10(11)12/h3-6,10H,2H2,1H3
InChIKey
GYRYHZYEFPCQIZ-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

216.0598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.067076 141.1
[M+Na]+ 239.049018 150.0
[M-H]- 215.052524 142.5
[M+NH4]+ 234.093623 159.9
[M+K]+ 255.022958 148.4
[M+H-H2O]+ 199.057060 133.4
[M+HCOO]- 261.058001 163.1
[M+CH3COO]- 275.073651 188.1
[M+Na-2H]- 237.034466 145.1
[M]+ 216.05925142 142.9
[M]- 216.06034858 142.9
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