CID 710598

4-(difluoromethoxy)-3,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C10H10F2O4
SMILES
COC1=CC(=CC(=C1OC(F)F)OC)C=O
InChI
InChI=1S/C10H10F2O4/c1-14-7-3-6(5-13)4-8(15-2)9(7)16-10(11)12/h3-5,10H,1-2H3
InChIKey
CDASCEKDGKTDOL-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

232.05472 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06200 143.2
[M+Na]+ 255.04394 152.9
[M-H]- 231.04744 144.9
[M+NH4]+ 250.08854 161.6
[M+K]+ 271.01788 152.0
[M+H-H2O]+ 215.05198 135.5
[M+HCOO]- 277.05292 165.4
[M+CH3COO]- 291.06857 191.4
[M+Na-2H]- 253.02939 146.5
[M]+ 232.05417 146.8
[M]- 232.05527 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe