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

59
Patents

202.04414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 136.3
[M+Na]+ 225.033358 145.6
[M-H]- 201.036864 137.9
[M+NH4]+ 220.077963 155.7
[M+K]+ 241.007298 144.3
[M+H-H2O]+ 185.041400 128.9
[M+HCOO]- 247.042341 158.7
[M+CH3COO]- 261.057991 185.1
[M+Na-2H]- 223.018806 140.8
[M]+ 202.04359142 137.7
[M]- 202.04468858 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