CID 3866840

3-(difluoromethoxy)-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC1=C(C=C(C=C1)C=O)OC(F)F
InChI
InChI=1S/C9H8F2O3/c1-13-7-3-2-6(5-12)4-8(7)14-9(10)11/h2-5,9H,1H3
InChIKey
ZIOBKYXYQVFUJT-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

202.04414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 136.3
[M+Na]+ 225.03336 145.6
[M-H]- 201.03686 137.9
[M+NH4]+ 220.07796 155.7
[M+K]+ 241.00730 144.3
[M+H-H2O]+ 185.04140 128.9
[M+HCOO]- 247.04234 158.7
[M+CH3COO]- 261.05799 185.1
[M+Na-2H]- 223.01881 140.8
[M]+ 202.04359 137.7
[M]- 202.04469 137.7
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